SCHEMBL7499785

SCHEMBL7499785

CCCCC1(c2ccccc2)C(=O)OCCC1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
ELANE P08246 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7498327 0.85 OPRM1 (0.35) OPRM1OPRL1MMP2MMP3MMP9
SCHEMBL7497849 0.84 KDM1A (0.38) OPRM1OPRL1MMP2MMP3MMP9
SCHEMBL7488373 0.82 OPRM1 (0.34) OPRM1OPRL1MMP2MMP3MMP9
SCHEMBL8991007 0.81
SCHEMBL7495764 0.77 NPSR1 (0.37) CYP1A2CYP2C9CYP2C19NPSR1KDM4E
SCHEMBL8991380 0.72 KDM1A (0.35)
SCHEMBL7488740 0.69 OPRM1 (0.40) OPRM1OPRL1MMP2MMP3MMP9
SCHEMBL8991282 0.68
SCHEMBL14778726 0.66 OPRM1 (0.45) OPRM1OPRL1MMP2MMP3MMP9
SCHEMBL14777608 0.64 OPRM1 (0.43) OPRM1OPRL1MMP2MMP3MMP9

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
US-5646183-A Phenyl amidine alkanoic acids useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1997-07-08 US disclosed
US-5612355-A Phenyl amidine lactones useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1997-03-18 US disclosed