SCHEMBL4761389

SCHEMBL4761389

COCC(N)C1CN(c2ccc3c(=O)n(N)c(=O)n(C4CC4)c3c2OC)CC1F

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
CYP3A4 P08684 1/20 0.32
TNF P01375 2/20 0.30
LITAF Q99732 2/20 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
SCHEMBL1383798 1.00 KCNH2 (0.35) KCNH2CYP3A4TNFLITAF
SCHEMBL4515843 1.00 KCNH2 (0.35) KCNH2CYP3A4TNFLITAF
SCHEMBL4516904 0.94 KCNH2 (0.35) KCNH2CYP3A4
SCHEMBL4717107 0.94 KCNH2 (0.35) KCNH2CYP3A4
SCHEMBL4526947 0.92 KCNH2 (0.36) KCNH2CYP3A4TNFLITAF
SCHEMBL4516695 0.92 KCNH2 (0.36) KCNH2CYP3A4TNFLITAF
SCHEMBL1383304 0.90
SCHEMBL4501334 0.90 KCNH2 (0.36) KCNH2TNFLITAF
SCHEMBL4511256 0.90 KCNH2 (0.36) KCNH2TNFLITAF
SCHEMBL5909017 0.90

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-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP claimed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US claimed