SCHEMBL8933238

SCHEMBL8933238

N=C(N)c1ccc(C(N)=O)cn1.O=C(O)C=NCC(=O)N1CCC[C@]1(C(=O)O)C1CCOCC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8725711 0.88 ITGB3 (0.30) ITGB3ITGA2B
SCHEMBL6484205 0.88 ITGB3 (0.35) ITGB3ITGA2BSMN1; SMN2
SCHEMBL6484519 0.85 ITGB3 (0.36) ITGB3ITGA2BSMN1; SMN2
SCHEMBL8933130 0.85
SCHEMBL8933278 0.85 OPRK1 (0.32) ITGB3ITGA2B
SCHEMBL8722615 0.84 HRH3 (0.34) ITGB3ITGA2B
SCHEMBL8725715 0.83 ITGB3 (0.34) ITGB3ITGA2B
SCHEMBL8725915 0.83 OPRM1 (0.30)
SCHEMBL6477293 0.79 F2 (0.39) ITGB3ITGA2B
SCHEMBL8725919 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed