SCHEMBL6878136

SCHEMBL6878136

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)C(Cc3ccccc3)c3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.44
NPY5R Q15761 6/20 0.39
ADRA2A P08913 1/20 0.39
NAPEPLD Q6IQ20 4/20 0.39
F2 P00734 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL6874939 0.91 MCHR1 (0.43) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6874945 0.91 MCHR1 (0.43) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6873534 0.89 MCHR1 (0.48) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6873538 0.89 MCHR1 (0.48) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6463049 0.88 MCHR1 (0.45) MCHR1NPY5RADRA2ANAPEPLDKDM4E
SCHEMBL6463042 0.88 MCHR1 (0.45) MCHR1NPY5RADRA2ANAPEPLDKDM4E
SCHEMBL6878610 0.84 MCHR1 (0.48) MCHR1NPY5RADRA2ANAPEPLDKDM4E
SCHEMBL6878604 0.84 MCHR1 (0.48) MCHR1NPY5RADRA2ANAPEPLDKDM4E
SCHEMBL6879386 0.84 MCHR1 (0.47) MCHR1NPY5RADRA2ANAPEPLDKDM4E
SCHEMBL6879382 0.84 MCHR1 (0.47) MCHR1NPY5RADRA2ANAPEPLDKDM4E

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