SCHEMBL15319784

SCHEMBL15319784

C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 1.00
HRH3 Q9Y5N1 7/20 1.00

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
SCHEMBL3324363 1.00 KCNH2 (1.00) KCNH2HRH3
SCHEMBL3923696 0.88 KCNH2 (0.79) KCNH2HRH3
SCHEMBL3635471 0.88 KCNH2 (0.79) KCNH2HRH3
SCHEMBL1939182 0.88 KCNH2 (0.79) KCNH2HRH3
SCHEMBL1939632 0.88 KCNH2 (0.79) KCNH2HRH3
SCHEMBL1939575 0.87 KCNH2 (0.78) KCNH2HRH3
SCHEMBL1939209 0.87 KCNH2 (0.77) KCNH2HRH3
SCHEMBL1939213 0.87 KCNH2 (0.77) KCNH2HRH3
SCHEMBL1939577 0.87 KCNH2 (0.78) KCNH2HRH3
SCHEMBL14303510 0.86 KCNH2 (0.91) KCNH2HRH3

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
WO-2013151982-A1 METHODS AND COMPOUNDS USEFUL IN TREATING PRURITUS, AND METHODS FOR IDENTIFYING SUCH COMPOUNDS ARENA PHARMACEUTICALS, INC. (US) 2013-10-10 WO disclosed