SCHEMBL7043797

SCHEMBL7043797

CN(C)c1cc(NC2CCC(CNC(=O)c3ccc(C#N)cc3)CC2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
MCHR1 Q99705 12/20 0.47
ADRA2A P08913 6/20 0.47
NPY5R Q15761 3/20 0.46
CXCR3 P49682 1/20 0.43
ADRA1A P35348 2/20 0.41
HRH1 P35367 2/20 0.41
HTR2B P41595 2/20 0.41
EGLN2 Q96KS0 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL7043795 1.00 AR (0.53) ARMCHR1ADRA2ANPY5RCXCR3
SCHEMBL6459288 0.92 MCHR1 (0.57) ARMCHR1ADRA2ANPY5RADRA1A
SCHEMBL6459295 0.92 MCHR1 (0.57) ARMCHR1ADRA2ANPY5RADRA1A
SCHEMBL6872722 0.89 HDAC3 (0.48) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6872721 0.89 HDAC3 (0.48) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6459241 0.89 MCHR1 (0.53) ARMCHR1ADRA2ANPY5RADRA1A
SCHEMBL6457739 0.89 MCHR1 (0.51) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6459232 0.89 MCHR1 (0.53) ARMCHR1ADRA2ANPY5RADRA1A
SCHEMBL6876100 0.89 NPY5R (0.47) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6464829 0.89 NPY5R (0.58) MCHR1ADRA2ANPY5RCXCR3ADRA1A

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