SCHEMBL7101012

SCHEMBL7101012

CNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 1.00
OPRD1 P41143 5/20 1.00
MLLT1 Q03111 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
HIF1A Q16665 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRB3 P13945 1/20 0.39
TSHR P16473 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
NFKB1 P19838 1/20 0.39
DRD1 P21728 1/20 0.39
HTR7 P34969 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 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
SCHEMBL7108642 0.94 OPRK1 (1.00) OPRK1OPRD1ITGB3ITGA2B
SCHEMBL7106587 0.86 OPRK1 (0.76) OPRK1OPRD1POLB
SCHEMBL7107673 0.81 OPRK1 (0.77) OPRK1OPRD1POLB
SCHEMBL7102313 0.81 OPRK1 (1.00) OPRK1OPRD1LMNA
SCHEMBL7106355 0.79 OPRK1 (1.00) OPRK1OPRD1RAB9ALMNAPOLB
SCHEMBL7101712 0.77 OPRK1 (1.00) OPRK1OPRD1POLB
SCHEMBL7106526 0.76 OPRK1 (1.00) OPRK1OPRD1LMNA
SCHEMBL2842744 0.65 OPRD1 (0.48) OPRK1OPRD1HIF1AADRB2ADRB1
SCHEMBL2501419 0.65 OPRD1 (0.48) OPRK1OPRD1HIF1AADRB2ADRB1
SCHEMBL2504416 0.65 OPRD1 (0.48) OPRK1OPRD1HIF1AADRB2ADRB1

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