SCHEMBL21075660

SCHEMBL21075660

O=C(O)[C@@H](NC(O)c1cc(C2CC2)c(COc2cc(Cl)cc(OC(F)(F)F)c2)cc1F)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 11/20 0.53
▸ FFAR1 O14842 7/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ PYGL P06737 1/20 0.34
▸ SCN1A P35498 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN2A Q99250 1/20 0.32

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
SCHEMBL20680118 0.84 SCN9A (0.64) SCN9AFFAR1FFAR4PYGLSCN5A
SCHEMBL19064937 0.84 SCN9A (0.64) SCN9AFFAR1FFAR4PYGLSCN5A
SCHEMBL17428406 0.84 SCN9A (0.64) SCN9AFFAR1FFAR4PYGLSCN5A
SCHEMBL17428627 0.79 SCN9A (0.67) SCN9AFFAR4SCN1ASCN5ASCN2A
SCHEMBL15543440 0.78 SCN9A (0.68) SCN9AFFAR4SCN1ASCN5ASCN2A
SCHEMBL17422975 0.75 SCN9A (0.64) SCN9AFFAR1SCN1ASCN5ASCN2A
SCHEMBL17422979 0.75 SCN9A (0.64) SCN9AFFAR1SCN1ASCN5ASCN2A
SCHEMBL21075815 0.74 SCN9A (0.64) SCN9AFFAR4SCN5A
SCHEMBL20697703 0.74 SCN9A (0.58) SCN9AFFAR1FFAR4SCN1ASCN5A
SCHEMBL21075357 0.74 SCN9A (0.62) SCN9ASCN1ASCN5ASCN2A

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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