SCHEMBL21075629

SCHEMBL21075629

CCc1cc(C(=O)N2CCCC2C(=O)OC(C)(C)C)c(F)cc1OCC1(C)CC2CC(C)CC(C2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.44
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ROCK2 O75116 1/20 0.36
SCN7A Q01118 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN2B O60939 1/20 0.34
SCN1A P35498 1/20 0.34
SCN4A P35499 1/20 0.34
SCN1B Q07699 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN8A Q9UQD0 1/20 0.34

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
SCHEMBL21075631 0.90 SCN9A (0.46) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL21075516 0.90 SCN9A (0.47) SCN9AALDH1A1SCN7ASCN5A
SCHEMBL17428496 0.90 SCN9A (0.55) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17428493 0.82 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17423354 0.80 SCN9A (0.54) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17423353 0.80 SCN9A (0.54) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17423253 0.80 SCN9A (0.53) SCN9ASCN5A
SCHEMBL17423255 0.80 SCN9A (0.53) SCN9ASCN5A
SCHEMBL21075324 0.79 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL19083968 0.79 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2BSCN1A

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