SCHEMBL7106096

SCHEMBL7106096

CN(CC1(C(=O)NCc2ccccc2)CCCCC1)c1cccc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
MMP1 P03956 2/20 0.41
HTR7 P34969 2/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
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
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPIB P23284 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
HPGD P15428 2/20 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
SCHEMBL7103182 0.89 NR1H2 (0.43) MMP1HTR7OPRM1MMP2MMP9
SCHEMBL7103454 0.82 HTR7 (0.46) HTR7OPRM1OPRD1OPRK1CYP3A4
SCHEMBL7106093 0.77 ERCC1 (0.48) ERCC1ERCC4MMP1MMP2MMP9
SCHEMBL19552539 0.71 KMT2A (0.43) OPRM1CYP2C19
Hydrochloric Acid SCHEMBL19552415 0.70 KMT2A (0.42) OPRM1SMN1; SMN2CYP2C19
SCHEMBL7106098 0.70 OPRK1 (0.53) ERCC1ERCC4MMP1MMP2MMP9
SCHEMBL1525284 0.69 SMN1; SMN2 (0.54) ERCC1ERCC4OPRM1OPRL1MMP8
SCHEMBL4388189 0.69 ERCC1 (0.53) ERCC1ERCC4MMP8SMN1; SMN2CYP1A2
SCHEMBL7103181 0.68 CYP3A4 (0.45) ERCC1ERCC4MMP1MMP2MMP9
SCHEMBL17107769 0.68 MMP8 (0.55) ERCC1ERCC4OPRM1OPRL1MMP8

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