SCHEMBL3407441

SCHEMBL3407441

O=S(=O)(c1ccccc1)n1ccc2cc(CN3CCNCC3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 1.00
CYP3A4 P08684 1/20 0.57
CHRM1 P11229 1/20 0.55
DRD3 P35462 1/20 0.54

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
Hydrochloric Acid SCHEMBL3215761 0.99 HTR6 (0.98) HTR6CYP3A4CHRM1DRD3
SCHEMBL3411710 0.86 HTR6 (0.83) HTR6CHRM1
SCHEMBL3407799 0.86 HTR6 (1.00) HTR6CYP3A4CHRM1
SCHEMBL3409687 0.86 HTR6 (1.00) HTR6
Hydrochloric Acid SCHEMBL3217522 0.85 HTR6 (0.98) HTR6CYP3A4CHRM1
Hydrochloric Acid SCHEMBL3209863 0.85 HTR6 (0.81) HTR6CHRM1
Hydrochloric Acid SCHEMBL3219374 0.85 HTR6 (0.98) HTR6
SCHEMBL3409097 0.84 HTR6 (1.00) HTR6CYP3A4CHRM1
Hydrochloric Acid SCHEMBL3217603 0.84 HTR6 (0.98) HTR6CYP3A4CHRM1
SCHEMBL18917669 0.81 HTR6 (0.67) HTR6CYP3A4DRD3

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-2114878-B1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2010-12-15 EP claimed