SCHEMBL6880295

SCHEMBL6880295

Cc1cccc(C(C)C)c1NC(=S)NC1CCC(Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.44
MCHR1 Q99705 11/20 0.38
ADRA2A P08913 5/20 0.37
HRH1 P35367 5/20 0.37
HTR2B P41595 5/20 0.37
ADRA1A P35348 3/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CACNA1B Q00975 2/20 0.35
APBA1 Q02410 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.34

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
SCHEMBL6880292 1.00 ALOX12 (0.44) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6878172 0.91 ALOX12 (0.53) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6878177 0.91 ALOX12 (0.53) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6875782 0.89 EPHX1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875772 0.89 EPHX1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873247 0.88 MCHR1 (0.37) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6873242 0.88 MCHR1 (0.37) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6876213 0.86 GLA (0.48) ALOX12MCHR1LMNAALDH1A1HTT
SCHEMBL6876224 0.86 GLA (0.48) ALOX12MCHR1LMNAALDH1A1HTT
SCHEMBL6875329 0.85 ALOX12 (0.44) ALOX12MCHR1ADRA2AHRH1HTR2B

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