SCHEMBL21075249

SCHEMBL21075249

Cc1cc(C(=O)N2CCC[C@H]2C(=O)O)c(F)cc1OCC12CC3CC1CC3C2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.44
ALDH1A1 P00352 1/20 0.39
GYS1 P13807 9/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SCN5A Q14524 1/20 0.36
NPSR1 Q6W5P4 1/20 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
SCHEMBL20307062 0.92 SCN9A (0.47) SCN9AALDH1A1GYS1L3MBTL1SCN5A
SCHEMBL21075436 0.88 SCN9A (0.48) SCN9ASCN5A
SCHEMBL21075447 0.88 SCN9A (0.48) SCN9ASCN5A
SCHEMBL21075463 0.88 SCN9A (0.48) SCN9ASCN5A
SCHEMBL17423149 0.85 SCN9A (0.58) SCN9ASCN5A
SCHEMBL17428614 0.85 SCN9A (0.58) SCN9ASCN5A
SCHEMBL21075537 0.83 SCN9A (0.42) SCN9AALDH1A1GYS1SCN5A
SCHEMBL20697686 0.82 SCN9A (0.45) SCN9AALDH1A1GYS1L3MBTL1NPSR1
SCHEMBL17428308 0.82 SCN9A (0.48) SCN9AALDH1A1GYS1L3MBTL1SCN5A
SCHEMBL21075350 0.81 SCN9A (0.44) SCN9AALDH1A1SCN5ANPSR1

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