SCHEMBL7030837

SCHEMBL7030837

N#CCc1ccccc1OCCNC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
ALDH1A1 P00352 4/20 0.43
HRH1 P35367 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7021488 0.82 ADRB2 (0.48) MTNR1AMTNR1B
SCHEMBL7024493 0.81 MEN1 (0.49) MEN1KMT2APKMMTNR1AMTNR1B
SCHEMBL2936654 0.77 L3MBTL1 (0.59) ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL15142696 0.77 HRH1 (0.48) MEN1KMT2APKMMTNR1AMTNR1B
SCHEMBL9570663 0.76 L3MBTL1 (0.42) ALDH1A1HRH1SMN1; SMN2KDM4EHPGD
SCHEMBL3470702 0.75 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL19384152 0.75 KDM4E (0.49) ALDH1A1HRH1SMN1; SMN2KDM4E
SCHEMBL19743651 0.75 MTNR1A (0.51) MEN1KMT2APKMMTNR1AMTNR1B
SCHEMBL25433158 0.74 KDM4E (0.62) MEN1KMT2APKMMTNR1AMTNR1B
SCHEMBL7072684 0.74 MTNR1A (0.77) KMT2AMTNR1AMTNR1BSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed