SCHEMBL7374634

SCHEMBL7374634

N=C(c1ccc(C2CC(CN3CCC(CC(=O)O)CC3)ON2)cc1)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.38
▸ ITGA2B P08514 12/20 0.38
▸ DRD2 P14416 2/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ SIGMAR1 Q99720 2/20 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
SCHEMBL7374981 0.99 ITGB3 (0.38) ITGB3ITGA2BDRD2HTR2AHTR2C
SCHEMBL7375554 0.92 ITGB3 (0.45) ITGB3ITGA2BDRD2HTR2AHTR2C
SCHEMBL7378321 0.92 ITGB3 (0.36) ITGB3ITGA2BDRD2HTR2AHTR2C
SCHEMBL7381765 0.92 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL7378953 0.89 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7373934 0.89 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7375252 0.88 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7377511 0.88 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL7375835 0.86 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL7377548 0.85 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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