SCHEMBL6874169

SCHEMBL6874169

Cc1cccc(NC(=O)NC2CCC(Nc3nccc(N(C)C)n3)CC2)c1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.45
ADRA2A P08913 5/20 0.43
HRH1 P35367 5/20 0.43
HTR2B P41595 5/20 0.43
ADRA1A P35348 3/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
AURKB Q96GD4 1/20 0.41
MAPK14 Q16539 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
KDR P35968 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
SCHEMBL6874165 1.00 MCHR1 (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6872853 0.92 EPHX2 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6872847 0.92 EPHX2 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876093 0.90 TSHR (0.57) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876089 0.90 TSHR (0.57) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877612 0.89 GAA (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877617 0.89 GAA (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873229 0.89 EPHX1 (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873237 0.89 EPHX1 (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875838 0.87 KMT2A (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A

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