SCHEMBL11435190

SCHEMBL11435190

CCOc1ccc(CCNCCN(C)CC2CCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ GAA P10253 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 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
SCHEMBL11441559 0.92 GAA (0.52) SMN1; SMN2HPGDGAAMAPTTP53
SCHEMBL11431178 0.89 GAA (0.49) SMN1; SMN2HPGDGAATP53KMT2A
SCHEMBL11435607 0.88 HPGD (0.45) SMN1; SMN2HPGDGAAMAPTTP53
SCHEMBL11430227 0.87 HPGD (0.44) SMN1; SMN2HPGDGAAMAPTTP53
SCHEMBL11426491 0.84 RAB9A (0.50) SMN1; SMN2NPC1KMT2AMEN1ALDH1A1
SCHEMBL11436508 0.83 ACACB (0.40) SMN1; SMN2MAPTNPC1KMT2AKDM4E
SCHEMBL11429863 0.80 MAPT (0.49) SMN1; SMN2HPGDGAAMAPTTP53
SCHEMBL11436989 0.80 MAPT (0.49) SMN1; SMN2HPGDGAAMAPTTP53
SCHEMBL11441966 0.78 KMT2A (0.51) SMN1; SMN2HPGDGAATP53NPC1
SCHEMBL11435253 0.77 KMT2A (0.48) SMN1; SMN2HPGDGAAMAPTTP53

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-0017376-A1 Phenylacetamide compounds and an analgesic composition containing them KISSEI PHARMACEUTICAL CO. LTD (JP) 1980-10-15 — — EP disclosed
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