SCHEMBL6868157

SCHEMBL6868157

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)NCc3ccc(F)cc3)CC2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.49
ADRA2A P08913 4/20 0.49
HPGD P15428 2/20 0.44
EPHX1 P07099 1/20 0.44
CTNNB1 P35222 5/20 0.44
TCF7L2 Q9NQB0 5/20 0.44
HTR1A P08908 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
NPY5R Q15761 1/20 0.43
ALDH1A1 P00352 1/20 0.41
DRD4 P21917 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL6868164 1.00 MCHR1 (0.49) MCHR1ADRA2AHPGDEPHX1CTNNB1
SCHEMBL6877613 0.91 MCHR1 (0.48) MCHR1ADRA2AHPGDEPHX1HTR1A
SCHEMBL6877619 0.91 MCHR1 (0.48) MCHR1ADRA2AHPGDEPHX1HTR1A
SCHEMBL6867894 0.89 MCHR1 (0.51) MCHR1ADRA2ACTNNB1TCF7L2HTR1A
SCHEMBL6867900 0.89 MCHR1 (0.51) MCHR1ADRA2ACTNNB1TCF7L2HTR1A
SCHEMBL6866532 0.88 MCHR1 (0.47) MCHR1ADRA2AHPGDEPHX1HTR1A
SCHEMBL6866528 0.88 MCHR1 (0.47) MCHR1ADRA2AHPGDEPHX1HTR1A
SCHEMBL6878977 0.85 MCHR1 (0.46) MCHR1ADRA2AHPGDEPHX1HTR1A
SCHEMBL6878983 0.85 MCHR1 (0.46) MCHR1ADRA2AHPGDEPHX1HTR1A
SCHEMBL6461979 0.85 MCHR1 (0.68) MCHR1ADRA2AHTR1AADRA1AHRH1

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