SCHEMBL28009191

SCHEMBL28009191

CC(c1ccccc1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.45
TRPV4 Q9HBA0 1/20 0.44
ATM Q13315 1/20 0.41
GPR139 Q6DWJ6 1/20 0.39
IDH1 O75874 1/20 0.37
HDAC4 P56524 1/20 0.37
KCNK3 O14649 2/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP2C9 P11712 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
SLC22A11 Q9NSA0 1/20 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) TRPV4CYP2C9
SCHEMBL28009682 0.86 TRPV4 (0.44) P2RX7TRPV4KCNK3
SCHEMBL12204706 0.85 TRPV4 (0.43) P2RX7TRPV4
SCHEMBL12204643 0.81 TRPV4 (0.40) P2RX7TRPV4GPR139IDH1CYP2C9
SCHEMBL12230273 0.81 S1PR1 (0.40) TRPV4
SCHEMBL2609310 0.80 TRPV4 (0.52) P2RX7TRPV4GPR139CYP2C9
SCHEMBL14033441 0.79 SMN1; SMN2 (0.49) P2RX7TRPV4ATMHDAC4
SCHEMBL14033326 0.79 P2RX7 (0.48) P2RX7TRPV4ATMHDAC4KDM1A
SCHEMBL16462564 0.77 P2RX7 (0.52) P2RX7TRPV4KDM1AMAOAMAOB
SCHEMBL998305 0.77 TRPV4 (0.48) P2RX7TRPV4GPR139CYP2C9

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