SCHEMBL7314760

SCHEMBL7314760

CC(C)(F)C(C(=O)CNC(=O)Cn1c(-c2ccccc2)ccc(N)c1=O)(C(C)(C)F)C(C)(C)F

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.58
CTRC Q99895 4/20 0.40
CMA1 P23946 3/20 0.40

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
SCHEMBL7314776 0.81 ELANE (0.61) ELANECTRC
SCHEMBL7274007 0.77 ELANE (0.54) ELANECTRCCMA1
SCHEMBL7274370 0.74 ELANE (1.00) ELANECTRC
SCHEMBL4452759 0.73 ALDH1A1 (0.59) ELANE
SCHEMBL8647999 0.73 KDM4E (0.62) ELANE
SCHEMBL6556265 0.72 ELANE (0.71) ELANECTRCCMA1
SCHEMBL7281923 0.71 ELANE (0.59) ELANECTRCCMA1
SCHEMBL9111284 0.71 CTRC (0.53) ELANECTRCCMA1
SCHEMBL7552480 0.70 ELANE (0.64) ELANECTRCCMA1
SCHEMBL8536723 0.70 ELANE (0.78) ELANECTRC

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