SCHEMBL7284451

SCHEMBL7284451

COC(=O)N(c1ccncc1)c1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.62
CTRC Q99895 1/20 0.56

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
SCHEMBL9584327 0.90 ELANE (0.64) ELANE
SCHEMBL7273925 0.86 ELANE (0.47) ELANECTRC
SCHEMBL7283490 0.84 ELANE (0.67) ELANECTRC
Trifluoroacetic Acid SCHEMBL7274321 0.83 ELANE (0.57) ELANECTRC
SCHEMBL7285140 0.83 ELANE (0.65) ELANECTRC
SCHEMBL9585110 0.83 ELANE (0.67) ELANE
SCHEMBL7274652 0.82 ELANE (0.43) ELANECTRC
Hydrochloric Acid SCHEMBL9011723 0.81 ELANE (0.68) ELANECTRC
SCHEMBL7394988 0.81 ELANE (0.54) ELANECTRC
SCHEMBL7440143 0.81 ELANE (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP disclosed