SCHEMBL4713787

SCHEMBL4713787

Cc1c(N2CCC(CCN)(c3ccccc3)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.39
SCN5A Q14524 1/20 0.38
TOP1 P11387 1/20 0.34

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
SCHEMBL1382207 0.95 KCNH2 (0.40) KCNH2SCN5ATOP1
Hydrochloric Acid SCHEMBL4501179 0.94 KCNH2 (0.40) KCNH2SCN5ATOP1
SCHEMBL1382223 0.87 KCNH2 (0.42) KCNH2SCN5A
Hydrochloric Acid SCHEMBL4516003 0.86 KCNH2 (0.41) KCNH2SCN5A
SCHEMBL4521087 0.84 CCR5 (0.36) KCNH2SCN5A
SCHEMBL1382693 0.82 KCNH2 (0.42) KCNH2SCN5A
Hydrochloric Acid SCHEMBL4515749 0.81 KCNH2 (0.41) KCNH2SCN5A
SCHEMBL1383803 0.81 KCNH2 (0.45) KCNH2SCN5A
SCHEMBL6491008 0.80 KCNH2 (0.44) KCNH2SCN5A
Hydrochloric Acid SCHEMBL4519316 0.80 KCNH2 (0.45) KCNH2SCN5A

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 claimed