SCHEMBL22112062

SCHEMBL22112062

CN(C)C1(c2cccc(O)c2)CCN(Cc2cccc(O)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.47
OPRK1 P41145 3/20 0.47
OPRD1 P41143 4/20 0.47
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
OPRL1 P41146 1/20 0.44
DRD3 P35462 1/20 0.44
POLB P06746 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR7 P34969 1/20 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
SCHEMBL22091714 0.80 OPRD1 (0.43) OPRM1OPRK1OPRD1DRD3HTR7
SCHEMBL22809117 0.80 OPRD1 (0.67) OPRM1OPRK1OPRD1CHRM2OPRL1
SCHEMBL2834966 0.78 OPRL1 (0.61) OPRM1OPRK1MEN1KMT2AOPRL1
SCHEMBL22112427 0.78 OPRL1 (0.54) OPRM1OPRK1LMNAKMT2AOPRL1
SCHEMBL22112080 0.77 OPRL1 (0.48) OPRM1OPRK1OPRL1POLBSIGMAR1
SCHEMBL6601752 0.77 OPRD1 (0.62) OPRM1OPRK1OPRD1DRD2OPRL1
SCHEMBL22031589 0.75 OPRD1 (0.60) OPRM1OPRK1OPRD1CHRM2
SCHEMBL4813486 0.74 OPRL1 (0.60) OPRM1OPRD1LMNAOPRL1POLB
SCHEMBL27650580 0.74 PRMT6 (0.58) DRD2DRD3SIGMAR1
SCHEMBL6310987 0.74 PRMT6 (0.62) DRD2DRD3

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
WO-2020120539-A1 NEW PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-18 WO disclosed