SCHEMBL27632549

SCHEMBL27632549

CN(C)c1cc(N[C@H]2CC[C@@H](CN(C(N)=O)c3ccc(CN)cc3)CC2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.44
NPY5R Q15761 3/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
ADRA2A P08913 11/20 0.36
CFD P00746 1/20 0.35
HTR1A P08908 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL27652826 0.90 MCHR1 (0.43) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27653092 0.88 MCHR1 (0.42) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27632401 0.87 MCHR1 (0.42) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27651724 0.86 MCHR1 (0.40) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27632415 0.85 MCHR1 (0.42) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27652743 0.85 NPY5R (0.41) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27653190 0.85 NPY5R (0.41) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27632508 0.85 MCHR1 (0.43) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27632734 0.84 MCHR1 (0.39) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27632628 0.84 NPY5R (0.44) MCHR1NPY5RKDM4ELMNASMN1; 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
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed