SCHEMBL21075619

SCHEMBL21075619

O=C(O)C[C@@H]1CCCN1C(=O)c1cc(C2CC2)c(COc2cc(Cl)cc(OC(F)(F)F)c2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 10/20 0.62
▸ FFAR1 O14842 8/20 0.39
▸ PPARG P37231 1/20 0.39
▸ S1PR1 P21453 1/20 0.36
▸ SCN7A Q01118 1/20 0.35
▸ SCN5A Q14524 1/20 0.35

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
SCHEMBL17423164 0.89 SCN9A (0.64) SCN9ASCN7ASCN5A
SCHEMBL17428454 0.89 SCN9A (0.64) SCN9ASCN7ASCN5A
SCHEMBL17428730 0.86 SCN9A (0.63) SCN9ASCN7ASCN5A
SCHEMBL17423344 0.86 SCN9A (0.63) SCN9ASCN7ASCN5A
SCHEMBL21075477 0.85 SCN9A (0.69) SCN9ASCN7ASCN5A
SCHEMBL19075785 0.83 SCN9A (0.59) SCN9ASCN7ASCN5A
SCHEMBL15543440 0.82 SCN9A (0.68) SCN9ASCN7ASCN5A
SCHEMBL17428627 0.80 SCN9A (0.67) SCN9ASCN7ASCN5A
SCHEMBL15599056 0.78 SCN9A (0.64) SCN9ASCN7ASCN5A
SCHEMBL17423179 0.77 SCN9A (0.57) SCN9ASCN7ASCN5A

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-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 — — EP disclosed
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