SCHEMBL21393400

SCHEMBL21393400

C=C(C)c1cc(C)cc(F)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.39
PDE9A O76083 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL80375 0.80 TRPV4 (0.58) TRPV4PDE9AKDM4E
SCHEMBL14601371 0.75 SELL (0.46) TRPV4PDE9AKDM4E
SCHEMBL14473069 0.74 TRPV4 (0.46) TRPV4KDM4E
SCHEMBL20076570 0.74 CES2 (0.35)
SCHEMBL13980136 0.74 HDAC1 (0.36)
SCHEMBL24629320 0.72 SELL (0.42) KDM4E
SCHEMBL16545828 0.71 TRPV4 (0.43) TRPV4PDE9AKDM4E
SCHEMBL21563310 0.71 TRPV4 (0.43) TRPV4PDE9AKDM4E
SCHEMBL16681130 0.71 TRPV4 (0.43) TRPV4PDE9AKDM4E
SCHEMBL31531374 0.71 TRPV4 (0.43) TRPV4PDE9AKDM4E

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
WO-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed