SCHEMBL6873235

SCHEMBL6873235

C[C@@H](NC(=S)NC1CCC(Nc2nccc(N(C)C)n2)CC1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.54
ALPI P09923 1/20 0.54
ALPG P10696 1/20 0.54
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK8 P45983 2/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
EPHX1 P07099 2/20 0.39
LMNA P02545 1/20 0.39
MAPK14 Q16539 2/20 0.39
MAPK1 P28482 2/20 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
SCHEMBL6873226 1.00 ALPL (0.54) ALPLALPIALPGNPC1ALDH1A1
SCHEMBL27632400 0.88 EPHX1 (0.55) MAPK8MAPK9MAPK10EPHX1LMNA
SCHEMBL6867353 0.84 MCHR1 (0.46) ALDH1A1MAPK8EPHX1LMNAMAPK14
SCHEMBL6867348 0.84 MCHR1 (0.46) ALDH1A1MAPK8EPHX1LMNAMAPK14
SCHEMBL6461492 0.80 MAPK8 (0.42) MAPK8MAPK9MAPK10EPHX1LMNA
SCHEMBL6461498 0.80 MAPK8 (0.42) MAPK8MAPK9MAPK10EPHX1LMNA
SCHEMBL6457914 0.80 CCR1 (0.43) MAPK8MAPK9MAPK10MAPK14
SCHEMBL6457922 0.80 CCR1 (0.43) MAPK8MAPK9MAPK10MAPK14
SCHEMBL6876213 0.80 GLA (0.48) ALDH1A1HTTKMT2ALMNAMAPK14
SCHEMBL6876224 0.80 GLA (0.48) ALDH1A1HTTKMT2ALMNAMAPK14

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