SCHEMBL7305642

SCHEMBL7305642

CC(C)C(NC(=O)Cc1cc(-c2ccccc2)[nH]c(=O)c1C(=O)Cc1ccc(N)cc1)C(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.45

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
SCHEMBL9298830 0.85 ELANE (0.51) ELANE
SCHEMBL9298972 0.82 ELANE (0.49) ELANE
SCHEMBL7284362 0.81 ELANE (0.54) ELANE
SCHEMBL9298731 0.80 ELANE (0.49) ELANE
SCHEMBL9298601 0.80 ELANE (0.49) ELANE
SCHEMBL9298479 0.79 ELANE (0.51) ELANE
SCHEMBL9299041 0.79 ELANE (0.46) ELANE
SCHEMBL9298548 0.78 ELANE (0.47) ELANE
SCHEMBL9299107 0.78 ELANE (0.47) ELANE
SCHEMBL9299332 0.77 ELANE (0.49) ELANE

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-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP claimed