SCHEMBL6587028

SCHEMBL6587028

Cc1cc(C)cc(NC(=O)Nc2cc(C)nc3ccccc23)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.70
HTT P42858 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
GALR3 O60755 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
S1PR1 P21453 1/20 0.57
OPRD1 P41143 1/20 0.57
OPRK1 P41145 1/20 0.56
MAPT P10636 3/20 0.54
NPC1 O15118 2/20 0.54
GUSB P08236 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.52
KDM4E B2RXH2 2/20 0.51
THRB P10828 1/20 0.51
RECQL P46063 1/20 0.51
FLT1 P17948 1/20 0.49
KDR P35968 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL6586520 0.90 IGF1R (0.79) IGF1RHTTMEN1KMT2AGALR3
SCHEMBL4855474 0.90 HTT (0.75) IGF1RHTTMEN1KMT2AGALR3
SCHEMBL6588598 0.89 IGF1R (0.77) IGF1RHTTMEN1KMT2AGALR3
SCHEMBL7686561 0.87 IGF1R (0.67) IGF1RHTTMEN1KMT2AGALR3
SCHEMBL6588862 0.84 IGF1R (0.77) IGF1RHTTMEN1KMT2AGALR3
SCHEMBL6587428 0.84 IGF1R (0.70) IGF1RHTTMEN1KMT2AGALR3
SCHEMBL6586139 0.83 HTT (0.66) IGF1RHTTMEN1KMT2AGALR3
SCHEMBL6592577 0.83 IGF1R (0.65) IGF1RHTTMEN1KMT2AGALR3
SCHEMBL6588362 0.83 IGF1R (0.71) IGF1RHTTMEN1KMT2AGALR3
SCHEMBL6586190 0.82 IGF1R (1.00) IGF1RHTTMEN1KMT2ARAB9A

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 8 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-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