SCHEMBL6877816

SCHEMBL6877816

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)C3C[C@H]3c3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.45
SIGMAR1 Q99720 5/20 0.42
ALDH1A1 P00352 1/20 0.42
NPY5R Q15761 3/20 0.41
ADRA2A P08913 1/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
ROCK2 O75116 1/20 0.39
NAPEPLD Q6IQ20 2/20 0.38
DGAT2 Q96PD7 2/20 0.38
MAOA P21397 1/20 0.37
HDAC4 P56524 1/20 0.37
MGAT2 Q10469 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 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
SCHEMBL6877977 0.89 HPGD (0.52) MCHR1SIGMAR1NPY5RADRA2AKDM4E
SCHEMBL6877973 0.89 HPGD (0.52) MCHR1SIGMAR1NPY5RADRA2AKDM4E
SCHEMBL6877968 0.89 HPGD (0.52) MCHR1SIGMAR1NPY5RADRA2AKDM4E
SCHEMBL6878610 0.86 MCHR1 (0.48) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6878604 0.86 MCHR1 (0.48) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL13793205 0.83 MCHR1 (0.56) MCHR1NPY5RADRA2A
SCHEMBL6879382 0.82 MCHR1 (0.47) MCHR1ALDH1A1NPY5RADRA2AKDM4E
SCHEMBL6879386 0.82 MCHR1 (0.47) MCHR1ALDH1A1NPY5RADRA2AKDM4E
SCHEMBL6867497 0.82 MCHR1 (0.41) MCHR1ALDH1A1NPY5RADRA2AKDM4E
SCHEMBL6867504 0.82 MCHR1 (0.41) MCHR1ALDH1A1NPY5RADRA2AKDM4E

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