SCHEMBL4713150

SCHEMBL4713150

CCOC[C@H](N)C1CN(c2ccc3c(=O)n(N)c(=O)n(C4CC4)c3c2OC)CC1C

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
TNF P01375 2/20 0.33
LITAF Q99732 2/20 0.33

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
SCHEMBL4514749 1.00 KCNH2 (0.36) KCNH2TNFLITAF
SCHEMBL1384532 1.00 KCNH2 (0.36) KCNH2TNFLITAF
SCHEMBL4759973 1.00 KCNH2 (0.36) KCNH2TNFLITAF
SCHEMBL4511256 0.92 KCNH2 (0.36) KCNH2TNFLITAF
SCHEMBL4761399 0.92 KCNH2 (0.36) KCNH2TNFLITAF
SCHEMBL4501334 0.92 KCNH2 (0.36) KCNH2TNFLITAF
SCHEMBL4516695 0.91 KCNH2 (0.36) KCNH2TNFLITAF
SCHEMBL4526947 0.91 KCNH2 (0.36) KCNH2TNFLITAF
SCHEMBL4759983 0.90 TNF (0.30) TNFLITAF
SCHEMBL4504705 0.90 TNF (0.30) TNFLITAF

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
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed