SCHEMBL6877968

SCHEMBL6877968

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
SIGMAR1 Q99720 1/20 0.47
MCHR1 Q99705 12/20 0.46
MAOA P21397 1/20 0.42
ADRA2A P08913 10/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
NPY5R Q15761 1/20 0.41
ROCK2 O75116 1/20 0.41
HDAC4 P56524 1/20 0.40
KDM5A P29375 1/20 0.40

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 1.00 HPGD (0.52) HPGDSIGMAR1MCHR1MAOAADRA2A
SCHEMBL6877973 1.00 HPGD (0.52) HPGDSIGMAR1MCHR1MAOAADRA2A
SCHEMBL6877816 0.89 MCHR1 (0.45) HPGDSIGMAR1MCHR1MAOAADRA2A
SCHEMBL6875849 0.85 EPHX2 (0.47) MCHR1MAOAADRA2AKDM4ELMNA
SCHEMBL6875855 0.85 EPHX2 (0.47) MCHR1MAOAADRA2AKDM4ELMNA
SCHEMBL6875863 0.85 EPHX2 (0.47) MCHR1MAOAADRA2AKDM4ELMNA
SCHEMBL6874577 0.84 LMNA (0.52) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
SCHEMBL6874583 0.84 LMNA (0.52) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
SCHEMBL6875141 0.84 KDM4E (0.50) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
SCHEMBL6875133 0.84 KDM4E (0.50) MCHR1ADRA2AKDM4ELMNASMN1; SMN2

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