SCHEMBL4017344

SCHEMBL4017344

CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CC[CH]CC2)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 18/20 0.63
▸ ADRB2 P07550 15/20 0.63
▸ ADRB3 P13945 2/20 0.58

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
SCHEMBL4017349 1.00 CHRM3 (0.63) CHRM3ADRB2ADRB3
Hydrochloric Acid SCHEMBL11669931 0.86 ADRB3 (0.71) ADRB2ADRB3
SCHEMBL11747553 0.86 ADRB3 (0.74) ADRB2ADRB3
Hydrochloric Acid SCHEMBL11744017 0.85 ADRB3 (0.72) ADRB2ADRB3
SCHEMBL4018079 0.83 CHRM3 (0.49) CHRM3ADRB2
SCHEMBL4018077 0.83 CHRM3 (0.49) CHRM3ADRB2
SCHEMBL11669746 0.79 ADRB3 (0.60) ADRB2ADRB3
SCHEMBL3136753 0.78 ADRB3 (0.72) ADRB2ADRB3
SCHEMBL4995820 0.78 CHRM3 (0.72) CHRM3ADRB2
SCHEMBL4995831 0.78 CHRM3 (0.72) CHRM3ADRB2

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
EP-2074094-A1 SULFONAMIDE DERIVATIVES AS ADRENERGIC AGONISTS AND MUSCARINIC ANTAGONISTS Pfizer Limited (GB) 2009-07-01 — — EP claimed
WO-2008041095-A1 SULFONAMIDE DERIVATIVES AS ADRENERGIC AGONISTS AND MUSCARINIC ANTAGONISTS PFIZER LIMITED (GB) 2008-04-10 — — WO claimed
EP-2074094-A1 SULFONAMIDE DERIVATIVES AS ADRENERGIC AGONISTS AND MUSCARINIC ANTAGONISTS Pfizer Limited (GB) 2009-07-01 — — EP disclosed
WO-2008041095-A1 SULFONAMIDE DERIVATIVES AS ADRENERGIC AGONISTS AND MUSCARINIC ANTAGONISTS PFIZER LIMITED (GB) 2008-04-10 — — WO disclosed
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