SCHEMBL6876320

SCHEMBL6876320

CCOC(=O)[C@H](CC(C)C)NC(=O)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.41
PPID Q08752 1/20 0.39
ADRA2A P08913 1/20 0.39
EDNRA P25101 2/20 0.38
EDNRB P24530 1/20 0.38
RAB9A P51151 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
SCHEMBL27632422 0.91 ALDH1A1 (0.43) MCHR1ADRA2ARAB9A
SCHEMBL6875811 0.90 PPID (0.41) MCHR1PPIDADRA2A
SCHEMBL6875819 0.90 PPID (0.41) MCHR1PPIDADRA2A
SCHEMBL6875816 0.90 PPID (0.41) MCHR1PPIDADRA2A
SCHEMBL6867518 0.90 ELANE (0.44) MCHR1ADRA2A
SCHEMBL6867524 0.90 ELANE (0.44) MCHR1ADRA2A
SCHEMBL5527236 0.84 MCHR1 (0.55) MCHR1ADRA2A
SCHEMBL5527235 0.84 MCHR1 (0.55) MCHR1ADRA2A
SCHEMBL5527239 0.84 MCHR1 (0.55) MCHR1ADRA2A
SCHEMBL6456527 0.83 TACR3 (0.47) MCHR1ADRA2A

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