SCHEMBL6878950

SCHEMBL6878950

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=S)Nc3ccc(I)cc3)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 5/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 3/20 0.39
ALOX12 P18054 3/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 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
SCHEMBL6878955 1.00 MCHR1 (0.43) MCHR1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL6867611 0.90 SMN1; SMN2 (0.47) MCHR1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL6867605 0.90 SMN1; SMN2 (0.47) MCHR1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL6868161 0.88 MCHR1 (0.45) MCHR1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL6868153 0.88 MCHR1 (0.45) MCHR1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL6874633 0.85 MAPT (0.49) MCHR1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL6874644 0.85 MAPT (0.49) MCHR1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL6874938 0.84 EGFR (0.54) MCHR1SMN1; SMN2LMNAMAPTGAA
SCHEMBL6874955 0.84 EGFR (0.54) MCHR1SMN1; SMN2LMNAMAPTGAA
SCHEMBL6874434 0.84 EGFR (0.47) MCHR1SMN1; SMN2LMNAKDM4EMAPT

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