SCHEMBL7379177

SCHEMBL7379177

N=C(NCCc1ccccc1)c1ccc(C2CC(CN3CCC(CC(=O)O)CC3)ON2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ITGB3 P05106 3/20 0.36
▸ ITGA2B P08514 3/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL7378338 0.91 MEN1 (0.40) MEN1KMT2ADGAT1
SCHEMBL7376103 0.89 ITGB3 (0.37) ITGB3ITGA2BDGAT1
SCHEMBL7374450 0.88 PTGIR (0.38) SMN1; SMN2MEN1KMT2AKDM1AHRH3
SCHEMBL7378740 0.87 ITGB3 (0.38) ITGB3ITGA2BDGAT1
SCHEMBL7376001 0.87 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7375252 0.82 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7374634 0.80 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL7374981 0.79 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL7378953 0.79 ITGB3 (0.37) MEN1KMT2AITGB3ITGA2B
SCHEMBL7381742 0.79 PTGIR (0.37) MEN1KMT2AKDM1AHRH3ITGB3

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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