SCHEMBL31399749

SCHEMBL31399749

C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccc2c(Cl)nccc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.49
▸ CNR1 P21554 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ GPR119 Q8TDV5 7/20 0.41
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ STS P08842 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ SMARCA2 P51531 1/20 0.38
▸ SMARCA4 P51532 1/20 0.38
▸ PBRM1 Q86U86 1/20 0.38
▸ HTR6 P50406 1/20 0.38

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
SCHEMBL31399717 0.84 CHRM1 (0.54) CHRM1POLBSTSACHE
SCHEMBL31399716 0.84 CHRM1 (0.54) CHRM1POLBSTSACHE
SCHEMBL24177978 0.84 CNR1 (0.44) CNR1GPR119MMP1MMP9SMARCA2
SCHEMBL23795306 0.84 CNR1 (0.44) CNR1GPR119MMP1MMP9SMARCA2
SCHEMBL30439348 0.84 CNR1 (0.44) CNR1GPR119MMP1MMP9SMARCA2
SCHEMBL31399755 0.84 CNR1 (0.43) CNR1GPR119MMP1MMP3MMP7
SCHEMBL2909501 0.83 CHRM1 (0.49) CHRM1CNR1
SCHEMBL23795420 0.83 MMP13 (0.45) CNR1GPR119MMP1MMP3MMP7
SCHEMBL23810437 0.83 MMP13 (0.45) CNR1GPR119MMP1MMP3MMP7
SCHEMBL17962413 0.80 COMT (0.50) CNR1POLBGPR119SMARCA2SMARCA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 — — EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 — — WO disclosed
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