SCHEMBL6868434

SCHEMBL6868434

CN(C)c1cc(NC2CCC(NC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.44
ADRA2A P08913 6/20 0.44
IGF1R P08069 3/20 0.42
ACP1 P24666 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
GRIK1 P39086 1/20 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
NPY5R Q15761 1/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
RAB9A P51151 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
SCHEMBL6868426 1.00 MCHR1 (0.44) MCHR1ADRA2AIGF1RACP1TRPV1
SCHEMBL6876607 0.91 ACP1 (0.47) MCHR1ADRA2AACP1TRPV1HTR1A
SCHEMBL6876600 0.91 ACP1 (0.47) MCHR1ADRA2AACP1TRPV1HTR1A
SCHEMBL6879539 0.90 NPY5R (0.43) MCHR1ADRA2AIGF1RACP1TRPV1
SCHEMBL6879545 0.90 NPY5R (0.43) MCHR1ADRA2AIGF1RACP1TRPV1
SCHEMBL6874646 0.90 ACP1 (0.41) MCHR1ADRA2AACP1HTR1AADRA1A
SCHEMBL6874657 0.90 ACP1 (0.41) MCHR1ADRA2AACP1HTR1AADRA1A
SCHEMBL6872384 0.90 MCHR1 (0.46) MCHR1ADRA2AACP1HTR1AADRA1A
SCHEMBL6872387 0.90 MCHR1 (0.46) MCHR1ADRA2AACP1HTR1AADRA1A
SCHEMBL6880443 0.88 KDR (0.51) 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