SCHEMBL29886345

SCHEMBL29886345

CCN(CC)C(=O)Oc1ccc(F)c(Cl)c1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.44
▸ TRPV3 Q8NET8 1/20 0.43
▸ STS P08842 2/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ TACR3 P29371 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL23214924 1.00 GPR119 (0.44) GPR119TRPV3STSMEN1KMT2A
SCHEMBL23215172 0.90 ALDH1A1 (0.42) GPR119STSMEN1KMT2ANPSR1
SCHEMBL29886059 0.90 ALDH1A1 (0.42) GPR119STSMEN1KMT2ANPSR1
SCHEMBL29886795 0.89 STS (0.42) GPR119STSMEN1KMT2ANPSR1
SCHEMBL23216598 0.89 LMNA (0.42) GPR119STSMEN1KMT2ANPSR1
SCHEMBL23215013 0.89 STS (0.42) GPR119STSMEN1KMT2ANPSR1
SCHEMBL29886780 0.79 LMNA (0.44) MEN1KMT2ALMNASMN1; SMN2TACR3
SCHEMBL23216381 0.79 LMNA (0.44) MEN1KMT2ALMNASMN1; SMN2TACR3
SCHEMBL23216282 0.77 PDK4 (0.43) GPR119
SCHEMBL29886388 0.77 PDK4 (0.43) GPR119

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-4041407-A1 ARYL HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 — — EP disclosed
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