SCHEMBL7488740

SCHEMBL7488740

CCCCC1(c2ccccc2)CCCOC1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
OPRL1 P41146 3/20 0.40
CYP19A1 P11511 11/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
ELANE P08246 1/20 0.35

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
SCHEMBL8991475 0.80 CYP19A1 (0.39) CYP19A1
SCHEMBL16915056 0.75 MEN1 (0.40) CYP19A1
SCHEMBL8923932 0.71 GRIN2D (0.48) CYP19A1MMP2MMP3MMP9
SCHEMBL576582 0.70 ALDH1A1 (0.39) MMP2MMP9
SCHEMBL576431 0.70 MEN1 (0.38)
SCHEMBL7499785 0.69 OPRM1 (0.36) OPRM1OPRL1MMP2MMP3MMP9
SCHEMBL3340035 0.69 SIRT2 (0.32)
SCHEMBL3678845 0.69 KCNA3 (0.36)
SCHEMBL7498327 0.69 OPRM1 (0.35) OPRM1OPRL1MMP2MMP3MMP9
SCHEMBL15043648 0.68 GRIN2D (0.47) OPRM1OPRL1CYP19A1MMP2MMP3

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 3 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
US-5504106-A Phenyl amidine alkanoic acids and lactones useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1996-04-02 US disclosed