SCHEMBL6604490

SCHEMBL6604490

COc1ccc(NC(=O)c2ccc(Cl)nc2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.64
HTR2C P28335 1/20 0.64
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.51
MITF O75030 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL6606130 0.89 MCHR1 (0.62) MCHR1HTR2CKCNQ3KCNQ2MEN1
SCHEMBL6605967 0.87 MCHR1 (0.63) MCHR1HTR2CKCNQ3KCNQ2MEN1
SCHEMBL6604498 0.86 MCHR1 (0.55) MCHR1HTR2CKCNQ3KCNQ2MEN1
SCHEMBL6926499 0.86 MCHR1 (0.66) MCHR1HTR2CMEN1MAPTKMT2A
SCHEMBL7067789 0.86 MCHR1 (0.66) MCHR1HTR2C
SCHEMBL6920748 0.86 MCHR1 (0.71) MCHR1HTR2CALDH1A1SMN1; SMN2
SCHEMBL6605991 0.85 MCHR1 (0.73) MCHR1HTR2C
SCHEMBL6926161 0.85 MCHR1 (0.76) MCHR1HTR2CALDH1A1SMN1; SMN2
SCHEMBL6606152 0.84 MCHR1 (0.65) MCHR1HTR2CALDH1A1LMNASMN1; SMN2
SCHEMBL2304880 0.84 KCNQ3 (0.68) KCNQ3KCNQ2MEN1MAPTKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP claimed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP claimed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed