SCHEMBL8994479

SCHEMBL8994479

CCCNC(=O)C(F)(F)C(O)C(NC(=O)Cn1c(-c2ccccc2Cl)ccc(N)c1=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.49
AVPR1B P47901 1/20 0.37
BACE1 P56817 3/20 0.37
CMA1 P23946 2/20 0.36
CTRC Q99895 2/20 0.36

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
SCHEMBL7552480 0.88 ELANE (0.64) ELANECMA1CTRC
SCHEMBL7548502 0.83 ELANE (0.71) ELANECTRC
SCHEMBL7399566 0.80 ELANE (0.62) ELANECMA1CTRC
SCHEMBL7398791 0.78 CTRC (0.57) ELANECMA1CTRC
SCHEMBL8536332 0.77 ELANE (0.71) ELANECTRC
SCHEMBL7399002 0.76 ELANE (0.66) ELANECTRC
SCHEMBL7394151 0.75 KDM4E (0.35)
SCHEMBL8994502 0.73 ELANE (0.65) ELANECTRC
SCHEMBL7283009 0.71 ELANE (0.52) ELANECTRC
SCHEMBL7276644 0.70 ELANE (0.76) 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
US-5486529-A Certain pyridyl ketones for treating diseases involving leukocyte elastase ZENECA LIMITED (GB) 1996-01-23 US disclosed