SCHEMBL9684294

SCHEMBL9684294

CC(c1ccccc1)N1CC(OS(C)(=O)=O)C1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
MC4R P32245 1/20 0.44
CHRM2 P08172 7/20 0.41
CHRM1 P11229 7/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
PMP22 Q01453 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRM4 P08173 3/20 0.39
CHRM5 P08912 3/20 0.39
CHRM3 P20309 3/20 0.39
OPRM1 P35372 2/20 0.39
CCR5 P51681 1/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL3803282 0.88 MCOLN3 (0.37) CYP2D6CHRM2CHRM1KMT2AMEN1
SCHEMBL70441 0.86 CYP2D6 (0.46) CYP2D6CHRM2CHRM1KMT2AMEN1
SCHEMBL17621817 0.83 CYP2D6 (0.38) CYP2D6CHRM2CHRM1KMT2AMEN1
SCHEMBL24238344 0.81 OPRM1 (0.42) CYP2D6CHRM2CHRM1KMT2AMEN1
SCHEMBL24238281 0.81 OPRM1 (0.42) CYP2D6CHRM2CHRM1KMT2AMEN1
SCHEMBL5514265 0.80 CYP2D6 (0.41) CYP2D6CHRM2CHRM1KMT2AMEN1
SCHEMBL24238345 0.79 CYP2D6 (0.40) CYP2D6CHRM2CHRM1KMT2AMEN1
SCHEMBL2264060 0.78 CYP2D6 (0.45) CYP2D6CHRM2CHRM1KMT2AMEN1
SCHEMBL9682608 0.78 CYP2D6 (0.45) CYP2D6MC4RCHRM2CHRM1LMNA
SCHEMBL2265275 0.78 CYP2D6 (0.45) CYP2D6CHRM2CHRM1KMT2AMEN1

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-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP disclosed
US-5130309-A Cardiovascular disorders A. H. ROBINS COMPANY, INCORPORATED (US) 1992-07-14 US disclosed