SCHEMBL3986098

SCHEMBL3986098

CN(C)C(CCC(O)c1ccc(C#N)cc1CO)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.36
EPHX2 P34913 4/20 0.34
NSD2 O96028 1/20 0.33
MCHR1 Q99705 1/20 0.33
SCN9A Q15858 2/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP2J2 P51589 1/20 0.31
CYP19A1 P11511 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRM1 P35372 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
S1PR3 Q99500 3/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27816963 1.00 AOC3 (0.36) AOC3EPHX2NSD2MCHR1SCN9A
SCHEMBL27702058 1.00 AOC3 (0.36) AOC3EPHX2NSD2MCHR1SCN9A
Bromide SCHEMBL4734510 0.99 AOC3 (0.36) AOC3EPHX2NSD2MCHR1SCN9A
SCHEMBL6580186 0.83 AOC3 (0.36) AOC3MEN1KMT2AOPRM1ADRB2
SCHEMBL2347668 0.82 EPHX2 (0.32) AOC3EPHX2NSD2MCHR1CYP2C9
SCHEMBL27836477 0.80 EPHX2 (0.38) AOC3EPHX2NSD2MCHR1SCN9A
SCHEMBL2337792 0.80 EPHX2 (0.38) AOC3EPHX2NSD2MCHR1SCN9A
SCHEMBL27836479 0.80 EPHX2 (0.38) AOC3EPHX2NSD2MCHR1SCN9A
SCHEMBL907710 0.78 EPHX2 (0.38) AOC3EPHX2SCN9ACYP19A1S1PR3
SCHEMBL19370305 0.76 SLC6A4 (0.42) SCN9ACYP2C9CYP2C19OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114763329-B Purification method of citalopram key intermediate ZHEJIANG HUAHAI PHARMACEUTICAL CO.,LTD. (CN) 2026-05-26 CN claimed
CN-114763329-A Method for purifying citalopram key intermediate 浙江华海药业股份有限公司 2022-07-19 CN claimed
EP-2061753-A1 METHOD FOR MANUFACTURE OF ESCITALOPRAM H.Lundbeck A/S (DK) 2009-05-27 EP claimed
WO-2009033488-A1 METHOD FOR MANUFACTURE OF ESCITALOPRAM H. LUNDBECK A/S (DK) 2009-03-19 WO claimed
CN-114763329-B Purification method of citalopram key intermediate ZHEJIANG HUAHAI PHARMACEUTICAL CO.,LTD. (CN) 2026-05-26 CN disclosed
CN-114763329-B Purification method of citalopram key intermediate ZHEJIANG HUAHAI PHARMACEUTICAL CO.,LTD. (CN) 2026-05-26 CN disclosed
CN-114763329-A Method for purifying citalopram key intermediate 浙江华海药业股份有限公司 2022-07-19 CN disclosed
CN-114763329-A Method for purifying citalopram key intermediate 浙江华海药业股份有限公司 2022-07-19 CN disclosed
EP-1581483-B1 A PROCESS FOR THE PREPARATION OF RACEMIC CITALOPRAM DIOL AND/OR i S- /i OR i R- /i CITALOPRAM DIOLS AND THE USE OF SUCH DIOLS FOR THE PREPARATION OF RACEMIC CITALOPRAM, i R- /i CITALOPRAM AND/OR i S- /i CITALOPRAM LUNDBECK & CO AS H (DK) 2012-06-06 EP disclosed
EP-2061753-A1 METHOD FOR MANUFACTURE OF ESCITALOPRAM H.Lundbeck A/S (DK) 2009-05-27 EP disclosed
WO-2009033488-A1 METHOD FOR MANUFACTURE OF ESCITALOPRAM H. LUNDBECK A/S (DK) 2009-03-19 WO disclosed
WO-2008059514-A2 PROCESS FOR PREPARING ESCITALOPRAM CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO disclosed
EP-1534654-A1 METHOD FOR THE SEPARATION OF INTERMEDIATES WHICH MAY BE USED FOR THE PREPARATION OF ESCITALOPRAM H. LUNDBECK A/S (DK) 2005-06-01 EP disclosed
WO-2004056754-A1 A PROCESS FOR THE PREPARATION OF RACEMIC CITALOPRAM DIOL AND/OR S- OR R- CITALOPRAM DIOLS AND THE USE OF SUCH DIOLS FOR THE PREPARATION OF RACEMIC CITALOPRAM, R-CITALOPRAM AND/OR S-CITALOPRAM H. LUNDBECK A/S (DK) 2004-07-08 WO disclosed
WO-2004056754-A1 A PROCESS FOR THE PREPARATION OF RACEMIC CITALOPRAM DIOL AND/OR S- OR R- CITALOPRAM DIOLS AND THE USE OF SUCH DIOLS FOR THE PREPARATION OF RACEMIC CITALOPRAM, R-CITALOPRAM AND/OR S-CITALOPRAM H. LUNDBECK A/S (DK) 2004-07-08 WO disclosed
EP-1412341-A1 PROCESS FOR THE PREPARATION OF RACEMIC CITALOPRAM AND/OR S- OR R-CITALOPRAM BY SEPARATION OF A MIXTURE OF R- AND S-CITALOPRAM H. Lundbeck A/S (DK) 2004-04-28 EP disclosed
WO-2004014821-A1 METHOD FOR THE SEPARATION OF INTERMEDIATES WHICH MAY BE USED FOR THE PREPARATION OF ESCITALOPRAM H. LUNDBECK A/S (DK) 2004-02-19 WO disclosed
WO-2003000672-A1 PROCESS FOR THE PREPARATION OF RACEMIC CITALOPRAM AND/OR S- OR R-CITALOPRAM BY SEPARATION OF A MIXTURE OF R- AND S-CITALOPRAM H. LUNDBECK A/S (DK) 2003-01-03 WO disclosed
EP-1228056-A2 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2002-08-07 EP disclosed
WO-2000012044-A2 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2000-03-09 WO disclosed