SCHEMBL6876180

SCHEMBL6876180

CN(C)c1cc(N[C@H]2CC[C@@H](CNCc3cc(C(F)(F)F)cc(Cl)c3F)CC2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.45
ADRA2A P08913 8/20 0.45
NPY5R Q15761 6/20 0.45
CRHR1 P34998 4/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ACP1 P24666 1/20 0.34

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
SCHEMBL6876186 1.00 MCHR1 (0.45) MCHR1ADRA2ANPY5RCRHR1KDM4E
SCHEMBL6874396 0.88 MCHR1 (0.47) MCHR1ADRA2ANPY5RCRHR1KDM4E
SCHEMBL6874392 0.88 MCHR1 (0.47) MCHR1ADRA2ANPY5RCRHR1KDM4E
SCHEMBL13797066 0.85 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL6878967 0.84 MCHR1 (0.45) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6878960 0.84 MCHR1 (0.45) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6874121 0.82 MCHR1 (0.45) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6874117 0.82 MCHR1 (0.45) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6872073 0.81 NPY5R (0.45) MCHR1ADRA2ANPY5RKDM4ELMNA
SCHEMBL6872078 0.81 NPY5R (0.45) MCHR1ADRA2ANPY5RKDM4ELMNA

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