SCHEMBL8511468

SCHEMBL8511468

CCn1nc2c(c1Cl)CSc1c(C)cc(C(=O)C3C(=O)CCCC3=O)c(C)c1-2

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.38
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL8724257 0.91 SPR (0.34) SPR
SCHEMBL8726213 0.90 SPR (0.33) SPR
SCHEMBL8508639 0.80 SPR (0.42) SPR
SCHEMBL209358 0.79 SPR (0.55) SPR
SCHEMBL8508676 0.71 DRD2 (0.46) SPR
SCHEMBL8511068 0.71 SPR (0.64) SPR
SCHEMBL8726198 0.70 SPR (0.48) SPR
SCHEMBL8559620 0.70 SPR (0.33) SPR
SCHEMBL8508671 0.67 SPR (0.67) SPR
SCHEMBL8508419 0.65 SPR (0.35) SPRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985799-A TRICYCLIC N-HETEROCYCLES, THEIR N-OXIDES, AGRICULTURALLY-SUITABLE SALTS AND COMPOSITIONS, AND METHODS OF THEIR USE FOR CONTROLLING UNDESIRABLE VEGETATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-16 US disclosed
EP-0876375-A1 TRICYCLIC HERBICIDAL HETEROCYCLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-11-11 EP disclosed
WO-1997019087-A1 TRICYCLIC HERBICIDAL HETEROCYCLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-05-29 WO disclosed