SCHEMBL6875404

SCHEMBL6875404

CN(C)c1cc(NC2CCC(NC(=O)Cc3ccc(Cl)cc3)CC2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
SIGMAR1 Q99720 1/20 0.47
MCHR1 Q99705 7/20 0.47
ADRA2A P08913 6/20 0.47
POLB P06746 1/20 0.46
GRM7 Q14831 1/20 0.45
NPY5R Q15761 3/20 0.43
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41

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
SCHEMBL6875397 1.00 LMNA (0.52) LMNASIGMAR1MCHR1ADRA2APOLB
SCHEMBL6872998 0.93 MCHR1 (0.51) LMNASIGMAR1MCHR1ADRA2ANPY5R
SCHEMBL6872993 0.93 MCHR1 (0.51) LMNASIGMAR1MCHR1ADRA2ANPY5R
SCHEMBL6874276 0.91 MCHR1 (0.51) LMNASIGMAR1MCHR1ADRA2ANPY5R
SCHEMBL6874285 0.91 MCHR1 (0.51) LMNASIGMAR1MCHR1ADRA2ANPY5R
SCHEMBL6867900 0.90 MCHR1 (0.51) LMNASIGMAR1MCHR1ADRA2ANPY5R
SCHEMBL6867894 0.90 MCHR1 (0.51) LMNASIGMAR1MCHR1ADRA2ANPY5R
SCHEMBL6873544 0.90 NPY5R (0.49) LMNAMCHR1ADRA2ANPY5RALDH1A1
SCHEMBL6873540 0.90 NPY5R (0.49) LMNAMCHR1ADRA2ANPY5RALDH1A1
SCHEMBL6878551 0.89 SIGMAR1 (0.50) LMNASIGMAR1MCHR1ADRA2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed