SCHEMBL8933084

SCHEMBL8933084

N=C(N)c1ccc(CNC(=O)[C@]2(C3CCCCC3)CCCN2C(=O)CN=CC(=O)O)c(O)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.33
F10 P00742 1/20 0.32
F7 P08709 1/20 0.31

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
SCHEMBL8933063 0.92 P2RX7 (0.34) F2
SCHEMBL8721666 0.89 F2 (0.35) F2F10
SCHEMBL6483869 0.87 F2 (0.35) F2F10
SCHEMBL8723707 0.85 F2 (0.35) F2F10
SCHEMBL6477095 0.85 F2 (0.38) F2F10F7
SCHEMBL8726018 0.81 F2 (0.33) F2F10
SCHEMBL6477416 0.79 F2 (0.39) F2F10F7
Hydrochloric Acid SCHEMBL8721658 0.79 F2 (0.40) F2F10F7
SCHEMBL6475472 0.78 F2 (0.35) F2
SCHEMBL6475562 0.76 F2 (0.38) F2F10F7

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