SCHEMBL10376010

SCHEMBL10376010

CCc1cc2cccnc2n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.57
BRD9 Q9H8M2 1/20 0.49
CYP1A2 P05177 1/20 0.47
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
GSR P00390 3/20 0.41
LMNA P02545 1/20 0.41
CTSK P43235 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
MAPT P10636 1/20 0.40
CCKBR P32239 1/20 0.40
PLA2G10 O15496 1/20 0.40
MAT2A P31153 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7278200 0.88 TRPV1 (0.50) TRPV1BRD9CYP1A2PDE4BPDE4D
SCHEMBL7269291 0.88 TRPV1 (0.57) TRPV1BRD9CYP1A2PDE4BPDE4D
SCHEMBL10375042 0.86 TRPV1 (0.54) TRPV1BRD9CYP1A2PDE4BPDE4D
SCHEMBL617699 0.81 TRPV1 (0.55) TRPV1CYP1A2PDE4BPDE4DTP53
SCHEMBL9471488 0.81 TRPV1 (0.50) TRPV1BRD9CYP1A2PDE4BPDE4D
SCHEMBL9471194 0.81 TRPV1 (0.52) TRPV1BRD9CYP1A2PDE4BPDE4D
SCHEMBL10375018 0.79 TRPV1 (0.54) TRPV1BRD9CYP1A2PDE4BPDE4D
SCHEMBL8690052 0.79 TRPV1 (0.48) TRPV1CYP1A2PDE4BPDE4DTP53
Hydrochloric Acid SCHEMBL9470737 0.77 TRPV1 (0.47) TRPV1PDE4BPDE4DMAPT
SCHEMBL29425535 0.76 CTSK (0.52) TRPV1BRD9CYP1A2PDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0172058-B1 PHENYLNAPHTHYRIDINES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM, PARTICULARLY AS ANTI-ULCER AGENTS LABORATOIRES UPSA (FR) 1990-01-03 EP claimed
US-4622328-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTISECRETORY AGENTS CARPIBEM (FR) 1986-11-11 US disclosed