SCHEMBL10073350

SCHEMBL10073350

CC(I)C(=O)Nc1ccc(-c2ccc(F)cc2)n(Cc2cncc(N(C)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.35
CACNA1H O95180 3/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
CNR2 P34972 6/20 0.33
CNR1 P21554 3/20 0.33

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
SCHEMBL380707 0.91 ELANE (0.34) ELANECACNA1HCACNA1GCACNA1ICNR2
SCHEMBL380708 0.91 ELANE (0.34) ELANECACNA1HCACNA1GCACNA1ICNR2
SCHEMBL2318568 0.79 ELANE (0.37) ELANE
SCHEMBL2318571 0.79 ELANE (0.37) ELANE
SCHEMBL2212981 0.78 GLA (0.33) ELANECACNA1HCACNA1GCACNA1I
SCHEMBL2209256 0.78 ELANE (0.41) ELANE
SCHEMBL2212409 0.78 ELANE (0.41) ELANE
SCHEMBL2212548 0.78 GLA (0.33) ELANECACNA1HCACNA1GCACNA1I
SCHEMBL14163211 0.78 SCN2B (0.36) ELANECNR2
SCHEMBL2316297 0.76 ELANE (0.36) 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-2086938-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-01-25 EP disclosed