SCHEMBL6874499

SCHEMBL6874499

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.44
ADRA2A P08913 16/20 0.44
EPHX1 P07099 3/20 0.43
EPHX2 P34913 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH1 P35367 5/20 0.42
HTR2B P41595 5/20 0.42
ADRA1A P35348 3/20 0.42
HTR1A P08908 1/20 0.42
NPY5R Q15761 1/20 0.42

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
SCHEMBL6874504 1.00 MCHR1 (0.44) MCHR1ADRA2AEPHX1EPHX2RAB9A
SCHEMBL6876429 0.91 USP30 (0.43) MCHR1ADRA2AEPHX1EPHX2RAB9A
SCHEMBL6876423 0.91 USP30 (0.43) MCHR1ADRA2AEPHX1EPHX2RAB9A
SCHEMBL6874485 0.90 EPHX1 (0.54) MCHR1ADRA2AEPHX1EPHX2RAB9A
SCHEMBL6874492 0.90 EPHX1 (0.54) MCHR1ADRA2AEPHX1EPHX2RAB9A
SCHEMBL6458790 0.89 NPC1 (0.51) MCHR1ADRA2AEPHX1EPHX2RAB9A
SCHEMBL6458798 0.89 NPC1 (0.51) MCHR1ADRA2AEPHX1EPHX2RAB9A
SCHEMBL6876946 0.89 EPHX1 (0.57) MCHR1ADRA2AEPHX1EPHX2RAB9A
SCHEMBL6465026 0.89 MCHR1 (0.51) MCHR1ADRA2AEPHX1EPHX2RAB9A
SCHEMBL6873659 0.89 MCHR1 (0.51) MCHR1ADRA2AEPHX1EPHX2RAB9A

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