SCHEMBL7414537

SCHEMBL7414537

C[C@H]1CCC[C@@](C)(CCCCCN2C(=O)C(c3ccnc(N)n3)Sc3ccccc32)N1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CACNA1S Q13698 1/20 0.31
KDM1A O60341 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
SCHEMBL7414194 0.90 CACNA1S (0.31) CACNA1SKDM1A
SCHEMBL7414004 0.85 F10 (0.34) KDM1A
SCHEMBL7414297 0.84 F2 (0.31) CACNA1S
SCHEMBL7413597 0.83 F10 (0.44)
SCHEMBL7413908 0.83 F10 (0.34) CACNA1SKDM1A
SCHEMBL7411273 0.82 F10 (0.33)
SCHEMBL7123221 0.82 F10 (0.46)
SCHEMBL7411988 0.80 F10 (0.46) CACNA1S
SCHEMBL7412407 0.79 F10 (0.35) CACNA1S
SCHEMBL7412299 0.78 HDAC3 (0.34) CACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068191-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP disclosed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO disclosed