SCHEMBL6586520

SCHEMBL6586520

Cc1cc(NC(=O)Nc2ccccc2)c2ccccc2n1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.79
S1PR1 P21453 1/20 0.69
OPRD1 P41143 1/20 0.69
HTT P42858 2/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
OPRK1 P41145 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.63
GALR3 O60755 1/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MAPT P10636 3/20 0.61
KDM4E B2RXH2 3/20 0.61
THRB P10828 1/20 0.61
RECQL P46063 1/20 0.61
NPC1 O15118 2/20 0.58
GUSB P08236 1/20 0.58

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
SCHEMBL4855474 0.94 HTT (0.75) IGF1RS1PR1OPRD1HTTMEN1
SCHEMBL6588598 0.93 IGF1R (0.77) IGF1RS1PR1OPRD1HTTMEN1
SCHEMBL6588862 0.91 IGF1R (0.77) IGF1RS1PR1OPRD1HTTMEN1
SCHEMBL6587028 0.90 IGF1R (0.70) IGF1RS1PR1OPRD1HTTMEN1
SCHEMBL6592577 0.90 IGF1R (0.65) IGF1RS1PR1OPRD1HTTMEN1
SCHEMBL6590889 0.88 NPC1 (0.65) IGF1RS1PR1OPRD1HTTMEN1
SCHEMBL7690789 0.88 IGF1R (0.67) IGF1RS1PR1OPRD1HTTMEN1
SCHEMBL6586190 0.88 IGF1R (1.00) IGF1RS1PR1OPRD1HTTMEN1
SCHEMBL5801737 0.88 IGF1R (0.71) IGF1RS1PR1OPRD1HTTMEN1
SCHEMBL7694541 0.88 IGF1R (0.71) IGF1RS1PR1OPRD1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP claimed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US claimed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP claimed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO claimed
EP-0682656-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT 2C? RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-11-22 EP claimed
WO-1994018170-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT2C RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-08-18 WO claimed
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed
EP-0682656-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT 2C? RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-11-22 EP disclosed
WO-1994018170-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT2C RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-08-18 WO disclosed