SCHEMBL7398398

SCHEMBL7398398

N=C(N)c1ccc(CCCCC2CCCC(=O)O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 7/20 0.40
F2 P00734 8/20 0.39
PRSS1 P07477 2/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
CTRC Q99895 1/20 0.39
CYP1A2 P05177 2/20 0.39
ST14 Q9Y5Y6 1/20 0.37
SPHK2 Q9NRA0 3/20 0.37
PLG P00747 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
F10 P00742 4/20 0.36
PLAU P00749 1/20 0.36
HPN P05981 1/20 0.36

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
SCHEMBL7397347 0.81 PRKCA (0.40)
SCHEMBL7397351 0.81 PRKCA (0.40)
SCHEMBL7399030 0.81 PRKCA (0.40)
SCHEMBL7392202 0.80 SPHK1 (0.40) SPHK1F2PRSS1ITGB3ITGA2B
SCHEMBL7392199 0.80 SPHK1 (0.40) SPHK1F2PRSS1ITGB3ITGA2B
SCHEMBL7403999 0.79 PRKCA (0.41) SPHK1F2PRSS1ITGB3ITGA2B
SCHEMBL7398589 0.79 PRKCA (0.41) SPHK1F2PRSS1ITGB3ITGA2B
SCHEMBL7399033 0.79 PRKCA (0.41) SPHK1F2PRSS1ITGB3ITGA2B
SCHEMBL7403926 0.78 CYP1A2 (0.40) CYP1A2
SCHEMBL7398400 0.77 CYP1A2 (0.38) CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994000424-A1 PHENYL AMIDINE ALKANOIC ACIDS AND LACTONES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-06 WO claimed
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
WO-1994000424-A1 PHENYL AMIDINE ALKANOIC ACIDS AND LACTONES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-06 WO disclosed