SCHEMBL2857979

SCHEMBL2857979

O=C(NCCc1ccccc1F)Oc1cnn(-c2cccc(Cl)n2)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.39
MAPK1 P28482 1/20 0.38
CNR1 P21554 1/20 0.38
HIF1A Q16665 7/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN9A Q15858 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL2856479 0.87 MAPK1 (0.41) TRPV1MAPK1CNR1HIF1ANPC1
SCHEMBL2854467 0.86 MAPT (0.36) TRPV1CNR1KDM4ETAAR1
SCHEMBL2850252 0.86 TRPV1 (0.40) TRPV1CNR1SCN9AKDM4ERXFP1
SCHEMBL2858012 0.85 CNR1 (0.46) TRPV1MAPK1CNR1HIF1AKDM4E
SCHEMBL2859504 0.85 TAAR1 (0.43) TRPV1CNR1NPC1RAB9AMEN1
SCHEMBL2857936 0.85 KDM4E (0.47) TRPV1MAPK1HIF1AKMT2AKDM4E
SCHEMBL2854553 0.84 TRPV1 (0.39) TRPV1MAPK1CNR1HIF1ANPC1
SCHEMBL2857758 0.84 TRPV1 (0.41) TRPV1MAPK1HIF1ANPC1RAB9A
SCHEMBL2848513 0.83 P2RX7 (0.43) TRPV1MAPK1HIF1ASCN9AKDM4E
SCHEMBL2853347 0.79 TRPV1 (0.41) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed