SCHEMBL11044387

SCHEMBL11044387

N#CC1(c2ccc(OCc3ccccc3)cc2)CCC(=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.50
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MMP13 P45452 2/20 0.47
MMP2 P08253 1/20 0.47
FFAR4 Q5NUL3 3/20 0.46
OPRM1 P35372 1/20 0.44
GSTP1 P09211 1/20 0.43
MAOA P21397 3/20 0.43
RORC P51449 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HPGD P15428 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL6208176 0.89 MAOB (0.58) MAOBLMNASMN1; SMN2MMP13MMP2
SCHEMBL2277113 0.86 MAOB (0.55) MAOBLMNASMN1; SMN2MMP13MMP2
SCHEMBL6211633 0.86 MAOB (0.55) MAOBLMNASMN1; SMN2MMP13MMP2
SCHEMBL5465617 0.86 ALOX5 (0.52) MAOBMAOA
SCHEMBL6208936 0.85 MAOB (0.54) MAOBLMNASMN1; SMN2MMP13MMP2
SCHEMBL9966478 0.83 MAOB (0.51) MAOBLMNASMN1; SMN2MMP13FFAR4
SCHEMBL21874085 0.83 MAOB (0.51) MAOBLMNASMN1; SMN2MMP13MMP2
SCHEMBL11706062 0.81 POLB (0.47) LMNAFFAR4POLB
SCHEMBL735798 0.80 MEN1 (0.57) SMN1; SMN2OPRM1
SCHEMBL5691564 0.80 MMP13 (0.50) MAOBLMNASMN1; SMN2MMP13MMP2

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