SCHEMBL11045230

SCHEMBL11045230

CCn1c(=O)n(C2CCN(CC(=O)c3ccc4c(c3)OCO4)CC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
OPRL1 P41146 11/20 0.52
OPRM1 P35372 8/20 0.52
OPRK1 P41145 3/20 0.52
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD11B1 P28845 1/20 0.48
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
ACHE P22303 1/20 0.46
CYP2J2 P51589 1/20 0.44
OPRD1 P41143 2/20 0.43

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
SCHEMBL11030906 0.81 OPRL1 (0.52) OPRL1OPRM1OPRK1ALDH1A1KDM4E
SCHEMBL11031463 0.80 HSD11B1 (0.74) MAOBOPRL1OPRM1OPRK1ALDH1A1
SCHEMBL11101766 0.75 KMT2A (0.58) MAOBALDH1A1KDM4ENPC1LMNA
SCHEMBL11099453 0.73 HSD11B1 (0.54) MAOBOPRL1OPRM1OPRK1ALDH1A1
SCHEMBL11105124 0.73 MAOB (0.55) MAOBOPRM1OPRK1ALDH1A1KDM4E
SCHEMBL11097138 0.72 MAOB (0.54) MAOBALDH1A1KDM4ENPC1LMNA
SCHEMBL11104105 0.72 MAOB (0.53) MAOBALDH1A1KDM4ENPC1LMNA
SCHEMBL11031460 0.72 ALDH1A1 (0.55) MAOBOPRM1OPRK1ALDH1A1KDM4E
SCHEMBL11104442 0.70 MAOB (0.54) MAOBALDH1A1KDM4ENPC1LMNA
SCHEMBL10733471 0.69 MAPT (0.78) MAOBALDH1A1KDM4ENPC1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4446141-A Hypotensive piperidine derivatives KYOWA HAKKO KOGYO CO. (JP) 1984-05-01 US disclosed
EP-0018417-B1 NOVEL PIPERIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1982-06-30 EP disclosed
EP-0018417-A1 Novel piperidine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1980-11-12 EP disclosed