SCHEMBL6880458

SCHEMBL6880458

Cc1ccc(CCNC(=S)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MCHR1 Q99705 7/20 0.46
ADRA2A P08913 5/20 0.46
HRH1 P35367 4/20 0.46
HTR2B P41595 4/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRB2 P07550 1/20 0.41
ALPL P05186 1/20 0.41
ADRA1A P35348 2/20 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
SCHEMBL6868868 0.93 KMT2A (0.56) KMT2AMCHR1ADRA2AMEN1MAPT
SCHEMBL6868863 0.93 KMT2A (0.56) KMT2AMCHR1ADRA2AMEN1MAPT
SCHEMBL6869024 0.92 KMT2A (0.58) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6869028 0.92 KMT2A (0.58) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6868673 0.91 ALPL (0.52) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6868667 0.91 ALPL (0.52) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL7043216 0.87 KMT2A (0.54) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL7043217 0.87 KMT2A (0.54) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6866433 0.86 KMT2A (0.51) KMT2AMCHR1ADRA2AHRH1HTR2B
SCHEMBL6866436 0.86 KMT2A (0.51) KMT2AMCHR1ADRA2AHRH1HTR2B

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