SCHEMBL6873108

SCHEMBL6873108

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)c3csc4ccccc34)CC2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.48
ADRA2A P08913 9/20 0.46
RAB9A P51151 2/20 0.45
RXFP1 Q9HBX9 3/20 0.44
MAPT P10636 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
NPY5R Q15761 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL6873119 1.00 MCHR1 (0.48) MCHR1ADRA2ARAB9ARXFP1MAPT
SCHEMBL6875827 0.88 MCHR1 (0.46) MCHR1ADRA2ANPY5R
SCHEMBL6875832 0.88 MCHR1 (0.46) MCHR1ADRA2ANPY5R
SCHEMBL6877538 0.84 MCHR1 (0.53) MCHR1ADRA2ARAB9ARXFP1MAPT
SCHEMBL6877534 0.84 MCHR1 (0.53) MCHR1ADRA2ARAB9ARXFP1MAPT
SCHEMBL6879865 0.84 MCHR1 (0.57) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL6879862 0.84 MCHR1 (0.57) MCHR1ADRA2ARAB9AHTR1AADRA1A
SCHEMBL27651773 0.83 MCHR1 (0.52) MCHR1ADRA2ARAB9ARXFP1MAPT
SCHEMBL6463528 0.83 RAB9A (0.49) MCHR1ADRA2ARAB9ARXFP1MAPT
SCHEMBL6877343 0.83 MCHR1 (0.59) MCHR1ADRA2ARAB9ARXFP1MAPT

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