SCHEMBL6875707

SCHEMBL6875707

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)NCc3ccc(Br)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.44
ADRA2A P08913 11/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.41
EPHX1 P07099 5/20 0.41
MAPT P10636 1/20 0.41
HRH1 P35367 4/20 0.40
HTR2B P41595 4/20 0.40
ADRA1A P35348 2/20 0.39
NPY5R Q15761 2/20 0.38
HTR1A P08908 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
SCHEMBL6875713 1.00 MCHR1 (0.44) MCHR1ADRA2ARAB9ASMN1; SMN2HPGD
SCHEMBL6875039 0.91 EPHX1 (0.51) MCHR1ADRA2ARAB9ASMN1; SMN2HPGD
SCHEMBL6879998 0.91 RAB9A (0.55) MCHR1ADRA2ARAB9ASMN1; SMN2HPGD
SCHEMBL6880005 0.91 RAB9A (0.55) MCHR1ADRA2ARAB9ASMN1; SMN2HPGD
SCHEMBL6875033 0.91 EPHX1 (0.51) MCHR1ADRA2ARAB9ASMN1; SMN2HPGD
SCHEMBL6458549 0.91 MCHR1 (0.50) MCHR1ADRA2ARAB9ASMN1; SMN2HPGD
SCHEMBL6458561 0.91 MCHR1 (0.50) MCHR1ADRA2ARAB9ASMN1; SMN2HPGD
SCHEMBL6867578 0.89 SMN1; SMN2 (0.57) MCHR1ADRA2ARAB9ASMN1; SMN2HPGD
SCHEMBL6867573 0.89 SMN1; SMN2 (0.57) MCHR1ADRA2ARAB9ASMN1; SMN2HPGD
SCHEMBL6880820 0.87 EPHX1 (0.50) MCHR1ADRA2ARAB9ANPC1EPHX1

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