SCHEMBL6876290

SCHEMBL6876290

Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)CC2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.74
ADRA2A P08913 5/20 0.60
HRH1 P35367 4/20 0.60
HTR2B P41595 4/20 0.60
ADRA1A P35348 4/20 0.60
CNR1 P21554 1/20 0.52
KCNH2 Q12809 1/20 0.52
AURKB Q96GD4 1/20 0.52
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
HTR1A P08908 1/20 0.48

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
SCHEMBL6876297 1.00 MCHR1 (0.74) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876353 0.94 MCHR1 (0.77) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876348 0.94 MCHR1 (0.77) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873060 0.90 MCHR1 (0.79) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873055 0.90 MCHR1 (0.79) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867618 0.89 MCHR1 (0.76) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463960 0.89 MCHR1 (0.84) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867610 0.89 MCHR1 (0.76) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463956 0.89 MCHR1 (0.84) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875868 0.87 MCHR1 (0.74) MCHR1ADRA2AHRH1HTR2BADRA1A

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