SCHEMBL6880771

SCHEMBL6880771

Cc1cccc(C(C)C)c1NC(=S)NC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.44
MCHR1 Q99705 11/20 0.38
ADRA2A P08913 9/20 0.38
HRH1 P35367 4/20 0.38
HTR2B P41595 4/20 0.38
ADRA1A P35348 2/20 0.38
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CACNA1B Q00975 2/20 0.36
APBA1 Q02410 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL6880766 1.00 ALOX12 (0.44) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6873520 0.95 ALOX12 (0.39) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6880536 0.92 ALOX12 (0.53) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6880533 0.92 ALOX12 (0.53) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6878090 0.90 MCHR1 (0.36) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6878093 0.90 MCHR1 (0.36) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6464453 0.90 EPHX1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464449 0.90 EPHX1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6869391 0.88 GLA (0.46) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6869396 0.88 GLA (0.46) 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