SCHEMBL11437547

SCHEMBL11437547

CCCOc1ccc(CCNCCN(CCC)CC2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.44
▸ CYP2D6 P10635 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 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
SCHEMBL11441561 0.88 KDM4E (0.46) MEN1KMT2AGAASMN1; SMN2
SCHEMBL11436989 0.84 MAPT (0.49) ACACBCYP2D6CYP1A2CYP2C19LMNA
SCHEMBL11435182 0.83 ACACB (0.39) ACACBLMNAKCNH2NPC1MAPT
SCHEMBL11434849 0.82 OPRM1 (0.54) KCNH2OPRM1OPRD1OPRK1
SCHEMBL11429899 0.79 ADRA1D (0.46) CYP2D6CYP1A2LMNAMEN1KMT2A
SCHEMBL11435585 0.78 BCHE (0.53) L3MBTL1MEN1KMT2AOPRM1OPRD1
SCHEMBL11429863 0.77 MAPT (0.49) ACACBCYP2D6CYP1A2CYP2C19LMNA
SCHEMBL11436508 0.77 ACACB (0.40) ACACBKMT2AKCNH2NPC1MAPT
SCHEMBL11430227 0.76 HPGD (0.44) ACACBLMNAL3MBTL1MEN1KMT2A
SCHEMBL11441559 0.73 GAA (0.52) CYP2D6CYP1A2CYP2C19LMNAMEN1

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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