SCHEMBL7447703

SCHEMBL7447703

CCOc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.71
HTR2B P41595 8/20 0.71
MAPT P10636 5/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
POLB P06746 1/20 0.60
RAB9A P51151 5/20 0.59
NPC1 O15118 3/20 0.59
PKM P14618 3/20 0.58
KDM4E B2RXH2 3/20 0.58
CDK8 P49336 2/20 0.53
CCNC P24863 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MITF O75030 1/20 0.53
PLK4 O00444 1/20 0.53
CHEK1 O14757 1/20 0.53
PDPK1 O15530 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
CHEK2 O96017 1/20 0.53

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
SCHEMBL7370903 0.88 HTR2C (0.70) HTR2CHTR2BMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7658357 0.86 HTR2C (0.59) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL7373725 0.85 HTR2C (0.74) HTR2CHTR2BMAPTKMT2APOLB
SCHEMBL7369587 0.85 HTR2C (0.67) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL3807061 0.83 HTR2C (0.73) HTR2CHTR2BMAPTKDM4ECDK8
Hydrochloric Acid SCHEMBL7402222 0.82 HTR2C (0.98) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL7451973 0.82 IGF1R (0.69) HTR2CHTR2BRAB9ANPC1CDK8
SCHEMBL7369055 0.82 HTR2C (0.69) HTR2CHTR2BMEN1KMT2ARAB9A
Dimethylamine SCHEMBL7660199 0.82 HTR2C (0.72) HTR2CHTR2BMAPTMEN1KMT2A
Diethylamine SCHEMBL7658432 0.81 HTR2C (0.69) HTR2CHTR2BMAPTKDM4ECDK8

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
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US claimed
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
EP-1003737-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 EP disclosed
WO-1999009024-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-02-25 WO disclosed