SCHEMBL6879414

SCHEMBL6879414

Cc1cccc(CNC(=S)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.46
ADRA2A P08913 6/20 0.46
HRH1 P35367 2/20 0.45
HTR2B P41595 2/20 0.45
ADRA1A P35348 1/20 0.45
HTT P42858 4/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 4/20 0.42
ALOX12 P18054 2/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ALPL P05186 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6879419 1.00 MCHR1 (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875068 0.90 MCHR1 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875980 0.90 ALOX12 (0.56) MCHR1ADRA2AHRH1HTR2BHTT
SCHEMBL6875063 0.90 MCHR1 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875977 0.90 ALOX12 (0.56) MCHR1ADRA2AHRH1HTR2BHTT
SCHEMBL6868667 0.90 ALPL (0.52) MCHR1ADRA2AHRH1HTR2BHTT
SCHEMBL6868673 0.90 ALPL (0.52) MCHR1ADRA2AHRH1HTR2BHTT
SCHEMBL7044566 0.90 BCHE (0.46) MCHR1ADRA2AHTTLMNAPKM
SCHEMBL7044564 0.90 BCHE (0.46) MCHR1ADRA2AHTTLMNAPKM
SCHEMBL6875251 0.90 MCHR1 (0.50) 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