SCHEMBL28009682

SCHEMBL28009682

CC(c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.44
P2RX7 Q99572 5/20 0.43
RPS6KB1 P23443 2/20 0.38
NTRK1 P04629 1/20 0.36
CSF1R P07333 1/20 0.36
NTRK2 Q16620 1/20 0.36
DGAT2 Q96PD7 4/20 0.36
KCNK3 O14649 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
TRPV3 Q8NET8 1/20 0.35
PDE2A O00408 2/20 0.35

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
SCHEMBL12204695 0.86 TRPV4 (0.44) TRPV4PDE2A
SCHEMBL28009191 0.86 P2RX7 (0.45) TRPV4P2RX7KCNK3
SCHEMBL12204706 0.85 TRPV4 (0.43) TRPV4P2RX7
SCHEMBL12204643 0.81 TRPV4 (0.40) TRPV4P2RX7TRPV3PDE2A
SCHEMBL12230273 0.81 S1PR1 (0.40) TRPV4
SCHEMBL2609310 0.80 TRPV4 (0.52) TRPV4P2RX7TRPV3PDE2A
SCHEMBL19773439 0.77 TRPV4 (0.48) TRPV4P2RX7TRPV3PDE2A
SCHEMBL367869 0.77 TRPV4 (0.48) TRPV4P2RX7TRPV3PDE2A
SCHEMBL13745241 0.77 TRPV4 (0.48) TRPV4P2RX7TRPV3PDE2A
SCHEMBL21346253 0.77 TRPV4 (0.48) TRPV4P2RX7TRPV3PDE2A

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
CN-104884445-B Benzamide H.隆德贝克有限公司 2018-06-19 CN disclosed
CN-104884445-A Benzamides LUNDBECK & CO AS H 2015-09-02 CN disclosed