SCHEMBL7378740

SCHEMBL7378740

CCCCNC(=N)c1ccc(C2CC(CN3CCC(CC(=O)O)CC3)ON2)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 16/20 0.38
▸ ITGA2B P08514 16/20 0.38
▸ DGAT1 O75907 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL7376103 0.95 ITGB3 (0.37) ITGB3ITGA2BDGAT1
SCHEMBL7376001 0.91 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7381328 0.87 ITGB3 (0.37) ITGB3ITGA2BALDH1A1
SCHEMBL7379177 0.87 SMN1; SMN2 (0.38) ITGB3ITGA2BDGAT1
SCHEMBL7378338 0.85 MEN1 (0.40) DGAT1
SCHEMBL7375252 0.82 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7378411 0.82 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL7373934 0.82 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7666232 0.81 ALDH1A1 (0.34) ITGB3ITGA2BDGAT1ALDH1A1
SCHEMBL7374634 0.81 ITGB3 (0.38) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131320-A1 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-09-12 — — EP claimed
WO-2000029407-A1 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-05-25 — — WO claimed
EP-1131320-A1 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-09-12 — — EP disclosed
WO-2000029407-A1 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-05-25 — — WO disclosed
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