SCHEMBL7106593

SCHEMBL7106593

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.75
OPRD1 P41143 7/20 0.74
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
GLI1 P08151 1/20 0.41
GLI2 P10070 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRM1 P35372 4/20 0.41
OPRL1 P41146 1/20 0.41
MMP8 P22894 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 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 0.88 OPRK1 (0.89) OPRK1OPRD1MMP1MMP2MMP9
SCHEMBL7108645 0.85 OPRK1 (1.00) OPRK1OPRD1MMP1MMP2MMP9
SCHEMBL7105490 0.81 OPRK1 (0.66) OPRK1OPRD1MMP1MMP2MMP9
SCHEMBL7106355 0.78 OPRK1 (1.00) OPRK1OPRD1MMP1MMP2MMP9
SCHEMBL7101712 0.72 OPRK1 (1.00) OPRK1OPRD1CYP2C9CYP2C19MMP8
SCHEMBL13774782 0.72 OPRK1 (0.68) OPRK1OPRD1NPC1RAB9AALDH1A1
SCHEMBL7105487 0.70 OPRK1 (0.64) OPRK1OPRD1
SCHEMBL7102313 0.67 OPRK1 (1.00) OPRK1OPRD1MMP1MMP2MMP9
SCHEMBL1709294 0.66 POLB (0.81) OPRK1MMP1MMP2NPC1RAB9A
SCHEMBL14679294 0.66 KDM4E (0.58) OPRK1OPRD1GLI1GLI2NPC1

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