SCHEMBL6880143

SCHEMBL6880143

Cc1ccc(NC(=O)NCC2CCC(Nc3nccc(N(C)C)n3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ADRA2A P08913 3/20 0.43
HTR2B P41595 3/20 0.43
ADRA1A P35348 2/20 0.43
HRH1 P35367 2/20 0.43
EPHX1 P07099 2/20 0.43
EPHX2 P34913 1/20 0.43
HTR1A P08908 1/20 0.41
MAPK14 Q16539 1/20 0.41
TP53 P04637 1/20 0.41
KDR P35968 3/20 0.41
AURKB Q96GD4 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL6880138 1.00 MCHR1 (0.47) MCHR1NPC1RAB9AADRA2AHTR2B
SCHEMBL6464006 0.91 MCHR1 (0.50) MCHR1NPC1RAB9AADRA2AHTR2B
SCHEMBL6463997 0.91 MCHR1 (0.50) MCHR1NPC1RAB9AADRA2AHTR2B
SCHEMBL6874927 0.89 MCHR1 (0.42) MCHR1NPC1RAB9AADRA2AHTR2B
SCHEMBL6874925 0.89 MCHR1 (0.42) MCHR1NPC1RAB9AADRA2AHTR2B
SCHEMBL6456627 0.87 MCHR1 (0.56) MCHR1NPC1RAB9AADRA2AHTR2B
SCHEMBL6456635 0.87 MCHR1 (0.56) MCHR1NPC1RAB9AADRA2AHTR2B
SCHEMBL6463324 0.87 MCHR1 (0.56) MCHR1NPC1RAB9AADRA2AHTR2B
SCHEMBL6458092 0.87 MCHR1 (0.56) MCHR1NPC1RAB9AADRA2AHTR2B
SCHEMBL6463329 0.87 MCHR1 (0.56) MCHR1NPC1RAB9AADRA2AHTR2B

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