SCHEMBL6875638

SCHEMBL6875638

CN(C)c1cc(NC2CCC(CNC(=O)Cc3csc4ccccc34)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.46
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 2/20 0.41
VCP P55072 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
NPY5R Q15761 3/20 0.39
ADRA2A P08913 2/20 0.39
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL6875635 1.00 MCHR1 (0.46) MCHR1TP53SMN1; SMN2RXFP1MAPT
SCHEMBL6868810 0.89 MCHR1 (0.49) MCHR1SMN1; SMN2VCPNPY5RADRA2A
SCHEMBL6868805 0.89 MCHR1 (0.49) MCHR1SMN1; SMN2VCPNPY5RADRA2A
SCHEMBL6875827 0.86 MCHR1 (0.46) MCHR1NPY5RADRA2A
SCHEMBL6875832 0.86 MCHR1 (0.46) MCHR1NPY5RADRA2A
SCHEMBL6867585 0.86 MCHR1 (0.45) MCHR1SMN1; SMN2ITGB3ITGAVNPY5R
SCHEMBL6867592 0.86 MCHR1 (0.45) MCHR1SMN1; SMN2ITGB3ITGAVNPY5R
SCHEMBL6879386 0.86 MCHR1 (0.47) MCHR1SMN1; SMN2ITGB3ITGAVNPY5R
SCHEMBL6879382 0.86 MCHR1 (0.47) MCHR1SMN1; SMN2ITGB3ITGAVNPY5R
SCHEMBL6868396 0.85 MCHR1 (0.44) MCHR1SMN1; SMN2MAPTVCPITGB3

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