SCHEMBL11435607

SCHEMBL11435607

CCOc1ccc(CCNCCN(CC)CC2CCCO2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CNR2 P34972 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
SCHEMBL11430227 0.93 HPGD (0.44) HPGDSMN1; SMN2KMT2ANPC1GAA
SCHEMBL11429863 0.92 MAPT (0.49) HPGDSMN1; SMN2KMT2ANPC1GAA
SCHEMBL11441966 0.90 KMT2A (0.51) HPGDSMN1; SMN2KMT2ANPC1GAA
SCHEMBL11435190 0.88 SMN1; SMN2 (0.46) HPGDSMN1; SMN2KMT2ANPC1GAA
SCHEMBL11437011 0.85 RAB9A (0.48) SMN1; SMN2KMT2ANPC1MEN1ALDH1A1
SCHEMBL11436989 0.85 MAPT (0.49) HPGDSMN1; SMN2KMT2ANPC1GAA
SCHEMBL11435182 0.83 ACACB (0.39) SMN1; SMN2NPC1MAPTKDM4E
SCHEMBL11435253 0.83 KMT2A (0.48) HPGDSMN1; SMN2KMT2ANPC1GAA
SCHEMBL11441559 0.80 GAA (0.52) HPGDSMN1; SMN2KMT2ANPC1GAA
SCHEMBL11426678 0.78 RAB9A (0.47) SMN1; SMN2KMT2ANPC1MAPTMEN1

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
Send feedback