SCHEMBL6867592

SCHEMBL6867592

CN(C)c1cc(NC2CCC(CNC(=O)Cc3cccc4ccccc34)CC2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.45
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
NPY5R Q15761 3/20 0.40
ADRA2A P08913 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6867585 1.00 MCHR1 (0.45) MCHR1OPRM1OPRD1ITGB3ITGAV
SCHEMBL6868405 0.90 MCHR1 (0.44) MCHR1ITGB3ITGAVNPY5RADRA2A
SCHEMBL6868396 0.90 MCHR1 (0.44) MCHR1ITGB3ITGAVNPY5RADRA2A
SCHEMBL6461455 0.90 MCHR1 (0.44) MCHR1ITGB3ITGAVNPY5RADRA2A
SCHEMBL6461446 0.90 MCHR1 (0.44) MCHR1ITGB3ITGAVNPY5RADRA2A
SCHEMBL27653033 0.90 SIGMAR1 (0.50) MCHR1OPRM1OPRD1TDP1CCNA2
SCHEMBL6879386 0.89 MCHR1 (0.47) MCHR1ITGB3ITGAVNPY5RADRA2A
SCHEMBL6879382 0.89 MCHR1 (0.47) MCHR1ITGB3ITGAVNPY5RADRA2A
SCHEMBL6875638 0.86 MCHR1 (0.46) MCHR1OPRM1ITGB3ITGAVNPY5R
SCHEMBL6875635 0.86 MCHR1 (0.46) MCHR1OPRM1ITGB3ITGAVNPY5R

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