SCHEMBL7103185

SCHEMBL7103185

CNC(c1cccc(O)c1)C1(C(=O)NCCc2ccccc2)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.54
OPRD1 P41143 3/20 0.54
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
GLI1 P08151 1/20 0.42
GLI2 P10070 1/20 0.42
OPRM1 P35372 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
TACR1 P25103 1/20 0.40
TACR3 P29371 1/20 0.40
LMNA P02545 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SPR P35270 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
SCHEMBL7106098 0.89 OPRK1 (0.53) OPRK1OPRD1MMP1MMP2MMP9
SCHEMBL7103456 0.81 OPRK1 (0.42) OPRK1OPRD1LMNA
SCHEMBL13066398 0.73 KMT2A (0.56) POLBCYP2C19
SCHEMBL7103181 0.71 CYP3A4 (0.45) OPRK1OPRD1NR1H2NR1H3MMP1
SCHEMBL7103182 0.71 NR1H2 (0.43) OPRK1OPRD1NR1H2NR1H3OPRM1
SCHEMBL7106355 0.70 OPRK1 (1.00) OPRK1OPRD1GLI1GLI2OPRM1
SCHEMBL7442260 0.69 CYP2C19 (0.55) MMP1MMP2CYP3A4CYP2C19TACR1
SCHEMBL5357017 0.69 MTNR1A (0.54)
SCHEMBL31697580 0.67 NPC1 (0.51) POLBCYP3A4CYP2C19
SCHEMBL28863035 0.66 EPHX1 (0.56) MMP1MMP2CYP3A4CYP2C19TACR1

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