SCHEMBL3974256

SCHEMBL3974256

O=C(NCCc1ccccc1)C1CC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.56
PLAAT3 P53816 1/20 0.54
PLAAT5 Q96KN8 1/20 0.54
PLAAT2 Q9NWW9 1/20 0.54
PLAAT4 Q9UL19 1/20 0.54
KDM1A O60341 1/20 0.53
SIGMAR1 Q99720 5/20 0.52
TAAR1 Q96RJ0 4/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
MAOA P21397 1/20 0.51
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
ALDH1A1 P00352 1/20 0.48
EPHX2 P34913 2/20 0.47
LTA4H P09960 1/20 0.47
KCNH2 Q12809 1/20 0.47
MLYCD O95822 1/20 0.46

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
SCHEMBL3346236 0.87 MC4R (0.65) MC4RPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL19403679 0.82 MEN1 (0.51) SIGMAR1POLBTLR2TLR1ALDH1A1
SCHEMBL17117337 0.79 SIGMAR1 (0.63) SIGMAR1TAAR1GAAALDH1A1
SCHEMBL17117412 0.78 ALDH1A1 (0.64) SIGMAR1TAAR1TLR2TLR1ALDH1A1
SCHEMBL22607767 0.77 MC4R (0.70) MC4RPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL22622441 0.77 MC4R (0.70) MC4RPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL22179105 0.77 MC4R (0.70) MC4RPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1799448 0.76 KCNH2 (0.49) SIGMAR1POLBGAAALDH1A1EPHX2
SCHEMBL1796938 0.76 KCNH2 (0.49) SIGMAR1POLBGAAALDH1A1EPHX2
SCHEMBL9939592 0.76 TAAR1 (0.64) MC4RTAAR1POLBGAATLR2

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
EP-2021330-A2 BENZIMIDAZOLE MODULATORS OF VR1 Janssen Pharmaceutica, N.V. (BE) 2009-02-11 EP disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO disclosed