SCHEMBL9727352

SCHEMBL9727352

O=C1CCCN1S(=O)(=O)c1ccccc1N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.55
ADRB1 P08588 2/20 0.43

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
SCHEMBL9727312 0.84 KMT2A (0.45)
SCHEMBL9727348 0.75 LMNA (0.55) HTR6ADRB1
SCHEMBL4261189 0.73 HTR6 (0.67) HTR6ADRB1
SCHEMBL3848435 0.73 HTR6 (0.67) HTR6ADRB1
SCHEMBL8632814 0.73 HTR6 (0.67) HTR6ADRB1
SCHEMBL3615174 0.73 HTR6 (0.56) HTR6
Water SCHEMBL6904877 0.72 HTR6 (0.65) HTR6ADRB1
SCHEMBL9727311 0.72 HTR6 (0.41) HTR6
SCHEMBL3796417 0.71 HTR6 (1.00) HTR6
Hydrochloric Acid SCHEMBL3882302 0.70 HTR6 (0.58) HTR6ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164514-A Antispasmodics ROUSSEL UCLAF (FR) 1992-11-17 US disclosed
US-5081130-A Antispasmodic agents ROUSSEL UCLAF (FR) 1992-01-14 US disclosed
US-4990531-A Antispasmodic agents ROUSSEL UCLAF (FR) 1991-02-05 US disclosed
EP-0335758-A2 Derivatives of 1-arylsulfonyl-2-pyrolidinone, process for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1989-10-04 EP disclosed