SCHEMBL11047897

SCHEMBL11047897

COC(=O)C1(c2ccc(F)cc2)CCC(=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRK1 P41145 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
HSD11B1 P28845 1/20 0.38
HDAC1 Q13547 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL20601546 0.89 OPRM1 (0.52) OPRM1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL16897591 0.86 OPRM1 (0.47) OPRM1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL16699935 0.85 OPRM1 (0.43) OPRM1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL31117190 0.85 ALDH1A1 (0.53) OPRM1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL4944766 0.85 ALDH1A1 (0.57) OPRM1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL16287573 0.84 KCNA3 (0.48) SMN1; SMN2MAPTALDH1A1LMNAKMT2A
SCHEMBL15348097 0.84 PDE4A (0.39) OPRM1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL21726313 0.84 ALDH1A1 (0.56) OPRM1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL5765569 0.84 MEN1 (0.50) OPRM1MEN1KMT2AOPRK1L3MBTL1
SCHEMBL11050761 0.84 OPRM1 (0.67) OPRM1ALDH1A1OPRK1ADRA1AOPRD1

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
EP-0035902-B1 1-(4-ARYL-CYCLOHEXYL)PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-10-31 EP disclosed
US-4329353-A ANTIEMETIC AND NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-05-11 US disclosed
EP-0035902-A1 1-(4-Aryl-cyclohexyl)piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-09-16 EP disclosed