SCHEMBL6878207

SCHEMBL6878207

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)Nc3ccccc3Br)CC2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.44
ADRA2A P08913 9/20 0.44
EPHX1 P07099 2/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
NPY5R Q15761 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL6878213 1.00 MCHR1 (0.44) MCHR1ADRA2AEPHX1KDM4ELMNA
SCHEMBL6875881 0.92 MCHR1 (0.47) MCHR1ADRA2AEPHX1KDM4ELMNA
SCHEMBL6875882 0.92 MCHR1 (0.47) MCHR1ADRA2AEPHX1KDM4ELMNA
SCHEMBL6460359 0.89 EPHX1 (0.55) MCHR1ADRA2AEPHX1KDM4ELMNA
SCHEMBL6460357 0.89 EPHX1 (0.55) MCHR1ADRA2AEPHX1KDM4ELMNA
SCHEMBL6880627 0.89 RXFP1 (0.49) MCHR1ADRA2AEPHX1KDM4ELMNA
SCHEMBL6880619 0.89 RXFP1 (0.49) MCHR1ADRA2AEPHX1KDM4ELMNA
SCHEMBL6877694 0.89 MCHR1 (0.43) MCHR1ADRA2AEPHX1KDM4ELMNA
SCHEMBL6877686 0.89 MCHR1 (0.43) MCHR1ADRA2AEPHX1KDM4ELMNA
SCHEMBL6462318 0.89 RAB9A (0.50) MCHR1ADRA2AEPHX1SMN1; SMN2RXFP1

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