SCHEMBL29457094

SCHEMBL29457094

CC(C(N)=O)c1ccc(Oc2ccc(F)cc2CN(C)C)cn1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 12/20 0.50
▸ SLC6A2 P23975 7/20 0.49
▸ SLC6A3 Q01959 5/20 0.49
▸ HTR2A P28223 2/20 0.41
▸ SCN9A Q15858 3/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SOS1 Q07889 1/20 0.39

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
SCHEMBL29457098 0.89 SCN9A (0.46) SLC6A4SLC6A2SLC6A3HTR2ASCN9A
SCHEMBL29457101 0.84 LPAR1 (0.39) SCN9A
SCHEMBL29457021 0.84 SCN4A (0.46) SCN9A
SCHEMBL29457351 0.82 SCN9A (0.38) SLC6A4HTR2ASCN9A
SCHEMBL29457068 0.79 SCN9A (0.45) SCN9A
SCHEMBL29457553 0.77 SCN9A (0.38) SCN9A
SCHEMBL27211110 0.76 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL29457033 0.75 APLNR (0.34) SCN9A
SCHEMBL29457093 0.75 SCN9A (0.48) SCN9A
SCHEMBL29457075 0.73 CARM1 (0.42) SCN9ASOS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 — — EP claimed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 — — WO claimed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 — — WO disclosed
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