SCHEMBL7106355

SCHEMBL7106355

CNC(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1

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
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.45
POLB P06746 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
GLI1 P08151 1/20 0.43
GLI2 P10070 1/20 0.43
OPRM1 P35372 1/20 0.43
LMNA P02545 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
SCHEMBL7101712 0.93 OPRK1 (1.00) OPRK1OPRD1MMP8POLBCYP2C9
SCHEMBL7102313 0.88 OPRK1 (1.00) OPRK1OPRD1MMP1MMP2MMP9
SCHEMBL7105487 0.79 OPRK1 (0.64) OPRK1OPRD1
SCHEMBL7101012 0.79 OPRK1 (1.00) OPRK1OPRD1POLBRAB9ALMNA
SCHEMBL7106995 0.78 OPRK1 (0.89) OPRK1OPRD1MMP1MMP2MMP9
SCHEMBL7106593 0.78 OPRK1 (0.75) OPRK1OPRD1MMP1MMP2MMP9
SCHEMBL7106526 0.76 OPRK1 (1.00) OPRK1OPRD1MAPTLMNA
SCHEMBL7108645 0.76 OPRK1 (1.00) OPRK1OPRD1MMP1MMP2MMP9
SCHEMBL7108642 0.76 OPRK1 (1.00) OPRK1OPRD1NPC1
SCHEMBL13774782 0.74 OPRK1 (0.68) OPRK1OPRD1MMP8POLBNPC1

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