SCHEMBL6879036

SCHEMBL6879036

CN(C)c1cc(N[C@H]2CC[C@@H](CNCc3cccc(C#N)c3)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.46
ADRA2A P08913 2/20 0.46
CCNK O75909 4/20 0.40
CDK12 Q9NYV4 4/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
NPY5R Q15761 1/20 0.40
GPR6 P46095 1/20 0.39
ACP1 P24666 1/20 0.39
LMNA P02545 4/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL6879043 1.00 MCHR1 (0.46) MCHR1ADRA2ACCNKCDK12CCNA2
SCHEMBL6874877 0.87 MCHR1 (0.49) MCHR1ADRA2ANPY5RGPR6LMNA
SCHEMBL6874880 0.87 MCHR1 (0.49) MCHR1ADRA2ANPY5RGPR6LMNA
SCHEMBL6875830 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RLMNAKDM4E
SCHEMBL6876564 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RLMNAKDM4E
SCHEMBL6875826 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RLMNAKDM4E
SCHEMBL6876570 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RLMNAKDM4E
SCHEMBL13793567 0.84 MCHR1 (0.65) MCHR1ADRA2ANPY5RLMNAMEN1
SCHEMBL6880806 0.84 MCHR1 (0.45) MCHR1ADRA2ANPY5RLMNAKDM4E
SCHEMBL6880801 0.84 MCHR1 (0.45) MCHR1ADRA2ANPY5RLMNAKDM4E

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