SCHEMBL7451973

SCHEMBL7451973

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccnc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.69
HTR2C P28335 6/20 0.62
HTR2B P41595 6/20 0.62
STING1 Q86WV6 1/20 0.60
EPHX2 P34913 1/20 0.59
KDR P35968 4/20 0.56
MAP3K20 Q9NYL2 2/20 0.56
RAF1 P04049 1/20 0.56
LCK P06239 1/20 0.56
RET P07949 1/20 0.56
CYP3A4 P08684 1/20 0.56
KIT P10721 1/20 0.56
RIPK3 Q9Y572 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
BRAF P15056 1/20 0.54
MAPK14 Q16539 1/20 0.54
TNNI3K Q59H18 1/20 0.54
P2RY1 P47900 3/20 0.53
P2RY14 Q15391 2/20 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 0.84 HTR2C (0.70) IGF1RHTR2CHTR2BKDRNPC1
SCHEMBL7447703 0.82 HTR2C (0.71) HTR2CHTR2BKDRMAP3K20NPC1
SCHEMBL3807061 0.82 HTR2C (0.73) HTR2CHTR2BKDRMAP3K20GSK3A
SCHEMBL7375363 0.81 HTR2C (0.72) IGF1RHTR2CHTR2BKDRMAP3K20
SCHEMBL27579461 0.80 PLK4 (0.73) HTR2CHTR2BKDRMAP3K20GSK3A
Hydrochloric Acid SCHEMBL7656134 0.80 HTR2C (0.71) IGF1RHTR2CHTR2BKDRMAP3K20
SCHEMBL3158413 0.80 P2RY1 (0.71) P2RY1P2RY14P2RY2
SCHEMBL7369937 0.80 HTR2C (0.70) IGF1RHTR2CHTR2BSTING1KDR
SCHEMBL7373725 0.79 HTR2C (0.74) HTR2CHTR2BSTING1KDRMAP3K20
Hydrochloric Acid SCHEMBL7658380 0.79 HTR2C (0.69) HTR2CHTR2BKDRMAP3K20NPC1

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