SCHEMBL6875734

SCHEMBL6875734

CN(C)c1nc(NC2CCC(NC(=O)Nc3ccc(C(C)(C)C)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.54
EPHX2 P34913 2/20 0.54
CXCR3 P49682 1/20 0.45
MCHR1 Q99705 8/20 0.42
ADRA2A P08913 6/20 0.42
HRH1 P35367 4/20 0.42
HTR2B P41595 4/20 0.42
LMNA P02545 1/20 0.42
ADRA1A P35348 2/20 0.41
RAB9A P51151 4/20 0.40
AURKB Q96GD4 1/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6875728 1.00 EPHX1 (0.54) EPHX1EPHX2CXCR3MCHR1ADRA2A
SCHEMBL6877906 0.92 EPHX2 (0.48) EPHX2MCHR1ADRA2A
SCHEMBL6877908 0.92 EPHX2 (0.48) EPHX2MCHR1ADRA2A
SCHEMBL6876946 0.89 EPHX1 (0.57) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6458798 0.89 NPC1 (0.51) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6458790 0.89 NPC1 (0.51) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6880736 0.89 SMN1; SMN2 (0.41) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6880739 0.89 SMN1; SMN2 (0.41) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6873659 0.89 MCHR1 (0.51) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6873666 0.89 MCHR1 (0.51) EPHX1EPHX2MCHR1ADRA2AHRH1

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed