SCHEMBL7447576

SCHEMBL7447576

CCc1cccc(NC(=O)Nc2ccnc3ccccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.63
HTR2B P41595 8/20 0.63
MAPT P10636 2/20 0.60
CLK4 Q9HAZ1 3/20 0.53
GSK3A P49840 3/20 0.53
GSK3B P49841 3/20 0.53
KIT P10721 3/20 0.53
ACVR1 Q04771 2/20 0.53
CDK8 P49336 2/20 0.53
MST1R Q04912 1/20 0.53
TYRO3 Q06418 1/20 0.53
TRPV1 Q8NER1 2/20 0.53
KDR P35968 3/20 0.52
PLK4 O00444 1/20 0.52
CHEK1 O14757 1/20 0.52
PDPK1 O15530 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
CHEK2 O96017 1/20 0.52
CDK1 P06493 1/20 0.52

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
SCHEMBL7373725 0.86 HTR2C (0.74) HTR2CHTR2BMAPTCLK4GSK3A
Hydrochloric Acid SCHEMBL7658357 0.83 HTR2C (0.59) HTR2CHTR2BMAPTCLK4GSK3A
Hydrochloric Acid SCHEMBL7652839 0.82 MAPT (0.60) HTR2CHTR2BMAPTTRPV1MEN1
Hydrochloric Acid SCHEMBL7661070 0.82 CLK1 (0.61) HTR2CHTR2BMAPTCLK4GSK3A
SCHEMBL7455693 0.82 SMN1; SMN2 (0.58) HTR2CHTR2BTRPV1MEN1NPC1
SCHEMBL3807061 0.82 HTR2C (0.73) HTR2CHTR2BMAPTCLK4GSK3A
SCHEMBL7371691 0.81 HTR2C (0.59) HTR2CHTR2BCLK4GSK3AGSK3B
SCHEMBL7371124 0.81 FADS1 (0.67) HTR2CHTR2BMAPTCLK4GSK3A
Hydrochloric Acid SCHEMBL7657697 0.81 SMN1; SMN2 (0.57) HTR2CHTR2BTRPV1MEN1NPC1
SCHEMBL7447310 0.81 HTR2C (0.67) HTR2CHTR2BMAPTCLK4GSK3A

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