SCHEMBL27632589

SCHEMBL27632589

CN(C)c1cc(N[C@H]2CC[C@@H](CN(C(N)=O)c3ccccc3C(C)(C)C)CC2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.42
NPY5R Q15761 7/20 0.40
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRA2A P08913 11/20 0.35
ACP1 P24666 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL27632717 0.92 ACP1 (0.42) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27632508 0.89 MCHR1 (0.43) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27632628 0.88 NPY5R (0.44) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27632401 0.87 MCHR1 (0.42) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27652700 0.86 MCHR1 (0.42) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27632726 0.85 NPY5R (0.42) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27652832 0.85 MCHR1 (0.42) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27652831 0.85 MCHR1 (0.42) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27652826 0.83 MCHR1 (0.43) MCHR1NPY5RKDM4ELMNASMN1; SMN2
SCHEMBL27632415 0.83 MCHR1 (0.42) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN claimed
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 claimed
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN disclosed
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
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