SCHEMBL7106098

SCHEMBL7106098

CNC(c1cccc(O)c1)C1(C(=O)NCc2ccccc2)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.53
OPRD1 P41143 4/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
SLC16A3 O15427 1/20 0.39
CCR2 P41597 2/20 0.39
MMP8 P22894 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GGPS1 O95749 1/20 0.38
FDPS P14324 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL7103185 0.89 OPRK1 (0.54) OPRK1OPRD1MMP1MMP2MMP9
SCHEMBL7103456 0.82 OPRK1 (0.42) OPRK1OPRD1LMNA
SCHEMBL5351192 0.74 AOC3 (0.50) ERCC1ERCC4CCR2
SCHEMBL7106093 0.70 ERCC1 (0.48) ERCC1ERCC4MMP1MMP2MMP9
SCHEMBL7106096 0.70 ERCC1 (0.42) OPRK1OPRD1ERCC1ERCC4MMP1
SCHEMBL7102313 0.69 OPRK1 (1.00) OPRK1OPRD1MMP1MMP2MMP9
SCHEMBL1525284 0.69 SMN1; SMN2 (0.54) ERCC1ERCC4MMP8SMN1; SMN2MEN1
SCHEMBL4388189 0.69 ERCC1 (0.53) ERCC1ERCC4MMP8SMN1; SMN2MEN1
SCHEMBL17107769 0.68 MMP8 (0.55) ERCC1ERCC4MMP8SMN1; SMN2MEN1
SCHEMBL7435493 0.67 MMP8 (0.57) ERCC1ERCC4MMP8SMN1; SMN2MEN1

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