SCHEMBL11435182

SCHEMBL11435182

CCOc1ccc(CCNCCN(CC)CC2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.39
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL11429899 0.89 ADRA1D (0.46) SMN1; SMN2ADRA1DADRA1AADRA1BBCHE
SCHEMBL11435585 0.87 BCHE (0.53) OPRM1OPRD1OPRK1BCHE
SCHEMBL11436508 0.86 ACACB (0.40) ACACBNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL11435607 0.83 HPGD (0.45) NPC1MAPTSMN1; SMN2KDM4E
SCHEMBL11437547 0.83 ACACB (0.44) ACACBOPRM1OPRD1OPRK1NPC1
SCHEMBL11429459 0.83 OPRM1 (0.51) OPRM1OPRD1OPRK1ADRA1AKCNH2
SCHEMBL11441561 0.80 KDM4E (0.46) SMN1; SMN2ADRA1DADRA1AADRA1BKDM4E
SCHEMBL11442329 0.77 MAPT (0.40) ACACBNPC1MAPTRAB9AMAPK1
SCHEMBL11430227 0.75 HPGD (0.44) ACACBNPC1MAPTSMN1; SMN2LMNA
SCHEMBL11429863 0.74 MAPT (0.49) ACACBNPC1MAPTSMN1; SMN2MAPK1

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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