SCHEMBL14200536

SCHEMBL14200536

O=S(=O)(c1ccccc1)c1ccc2c(c1)OCCC2CNCl

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.54
HTR1A P08908 1/20 0.41
KDM4C Q9H3R0 10/20 0.40
KDM6B O15054 2/20 0.39

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
SCHEMBL2953120 0.88 HTR6 (0.63) HTR6HTR1AKDM4CKDM6B
Hydrochloric Acid SCHEMBL27690417 0.87 HTR6 (0.61) HTR6HTR1AKDM4CKDM6B
SCHEMBL2965157 0.85 HTR6 (0.53) HTR6KDM4C
Hydrochloric Acid SCHEMBL2954644 0.85 HTR6 (0.53) HTR6KDM4C
SCHEMBL2956933 0.84 HTR6 (0.66) HTR6KDM4C
SCHEMBL2960579 0.84 HTR6 (0.60) HTR6
SCHEMBL2959922 0.83 HTR6 (0.49) HTR6HTR1AKDM4C
Hydrochloric Acid SCHEMBL2965127 0.83 HTR6 (0.59) HTR6
SCHEMBL2963199 0.82 HTR6 (0.55) HTR6
SCHEMBL2950348 0.81 HTR6 (0.56) HTR6HTR1AKDM4C

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-1831191-B1 CHROMAN DERIVATIVES AND THEIR USE AS 5-HT RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-05-21 EP disclosed