SCHEMBL7108645

SCHEMBL7108645

CN(CC1CC1)C(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 14/20 1.00
OPRD1 P41143 7/20 1.00
OPRM1 P35372 7/20 0.51
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
MMP8 P22894 1/20 0.41
POLB P06746 1/20 0.40
OPRL1 P41146 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL7106995 0.85 OPRK1 (0.89) OPRK1OPRD1OPRM1DRD2DRD3
SCHEMBL7106593 0.85 OPRK1 (0.75) OPRK1OPRD1OPRM1MMP8POLB
SCHEMBL7105490 0.79 OPRK1 (0.66) OPRK1OPRD1OPRM1OPRL1MMP1
SCHEMBL7106355 0.76 OPRK1 (1.00) OPRK1OPRD1OPRM1MMP8POLB
SCHEMBL7101712 0.70 OPRK1 (1.00) OPRK1OPRD1MMP8POLB
SCHEMBL18375462 0.67 OPRM1 (1.00) OPRK1OPRD1OPRM1
SCHEMBL21824300 0.67 OPRM1 (1.00) OPRK1OPRD1OPRM1
SCHEMBL13774782 0.67 OPRK1 (0.68) OPRK1OPRD1MMP8POLB
SCHEMBL7101012 0.67 OPRK1 (1.00) OPRK1OPRD1DRD3POLB
SCHEMBL1709294 0.67 POLB (0.81) OPRK1MMP8POLBMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1055665-B1 3-(3-Hydroxyphenyl)-3-amino-propionamide derivatives PFIZER PROD INC (US) 2003-10-22 EP disclosed
EP-1055665-A1 3-(3-Hydroxyphenyl)-3-amino-propionamide derivatives Pfizer Products Inc. (US) 2000-11-29 EP disclosed