SCHEMBL6877613

SCHEMBL6877613

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.48
ADRA2A P08913 10/20 0.45
HPGD P15428 2/20 0.44
EPHX1 P07099 1/20 0.44
DRD4 P21917 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
NPY5R Q15761 2/20 0.40
HTR1A P08908 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 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
SCHEMBL6877619 1.00 MCHR1 (0.48) MCHR1ADRA2AHPGDEPHX1DRD4
SCHEMBL6868157 0.91 MCHR1 (0.49) MCHR1ADRA2AHPGDEPHX1DRD4
SCHEMBL6868164 0.91 MCHR1 (0.49) MCHR1ADRA2AHPGDEPHX1DRD4
SCHEMBL6878983 0.85 MCHR1 (0.46) MCHR1ADRA2AHPGDEPHX1SMN1; SMN2
SCHEMBL6878977 0.85 MCHR1 (0.46) MCHR1ADRA2AHPGDEPHX1SMN1; SMN2
SCHEMBL6455831 0.85 MCHR1 (0.57) MCHR1ADRA2ASMN1; SMN2RAB9AKDM4E
SCHEMBL6455836 0.85 MCHR1 (0.57) MCHR1ADRA2ASMN1; SMN2RAB9AKDM4E
SCHEMBL6463327 0.84 MCHR1 (0.45) MCHR1ADRA2ASMN1; SMN2RAB9AKDM4E
SCHEMBL6866532 0.84 MCHR1 (0.47) MCHR1ADRA2AHPGDEPHX1SMN1; SMN2
SCHEMBL6866528 0.84 MCHR1 (0.47) MCHR1ADRA2AHPGDEPHX1SMN1; 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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed