SCHEMBL18635781

SCHEMBL18635781

NC(O)(c1ccc(F)cn1)c1ccc(F)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.34
CYP19A1 P11511 2/20 0.34
APLNR P35414 1/20 0.34
USP2 O75604 1/20 0.32
RAB9A P51151 1/20 0.32
GRM5 P41594 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
PDE10A Q9Y233 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TRPA1 O75762 1/20 0.30
ORAI1 Q96D31 1/20 0.30

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
SCHEMBL1507186 0.78 PDE10A (0.43) TRPV4CYP19A1APLNRGABRA1GABRG2
SCHEMBL23262834 0.78 GRM5 (0.35) TRPV4APLNRRAB9AGRM5GABRA1
SCHEMBL16132531 0.78 HSD11B1 (0.37) TRPV4CYP19A1APLNRUSP2RAB9A
SCHEMBL2568687 0.75 GRM5 (0.33) TRPV4APLNRGRM5GABRA5
SCHEMBL229945 0.75 TRPV4 (0.60) TRPV4GRM5KDM4E
SCHEMBL12001529 0.74 KCNH2 (0.35) TRPV4CYP19A1APLNRGABRA1GABRG2
SCHEMBL4729458 0.73 TRPV4 (0.37) TRPV4APLNRGRM5PDE10AKDM4E
SCHEMBL30087636 0.72 KCNN4 (0.41) TRPV4APLNRGABRA5F2PRSS1
SCHEMBL17586504 0.71 TRPV4 (0.40) TRPV4APLNRGRM5PDE10ATRPA1
SCHEMBL19086840 0.71 TRPV4 (0.40) TRPV4GRM5TRPA1

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-2978759-B1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2017-03-15 EP disclosed