SCHEMBL6877394

SCHEMBL6877394

Cc1cc(CN[C@H]2CC[C@@H](NC(=O)c3cccc(Cl)c3)CC2)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.58
ADRA2A P08913 2/20 0.58
GRM5 P41594 12/20 0.54
CRHR1 P34998 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL6877400 1.00 MCHR1 (0.58) MCHR1ADRA2AGRM5CRHR1L3MBTL1
SCHEMBL6879281 0.86 MCHR1 (0.58) MCHR1ADRA2ARAB9A
SCHEMBL6879276 0.86 MCHR1 (0.58) MCHR1ADRA2ARAB9A
SCHEMBL6456788 0.83 MCHR1 (0.66) MCHR1ADRA2AGRM5CRHR1L3MBTL1
SCHEMBL6456795 0.83 MCHR1 (0.66) MCHR1ADRA2AGRM5CRHR1L3MBTL1
Hydrochloric Acid SCHEMBL6457135 0.82 MCHR1 (0.65) MCHR1ADRA2AGRM5CRHR1L3MBTL1
Hydrochloric Acid SCHEMBL6457144 0.82 MCHR1 (0.65) MCHR1ADRA2AGRM5CRHR1L3MBTL1
Trifluoroacetic Acid SCHEMBL6467012 0.80 ADRA2A (0.48) MCHR1ADRA2ACRHR1RAB9A
SCHEMBL28975696 0.75 L3MBTL1 (0.88) GRM5CRHR1L3MBTL1NPC1RAB9A
SCHEMBL6455892 0.74 LMNA (0.60) MCHR1ADRA2ARAB9A

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