SCHEMBL9437752

SCHEMBL9437752

CN1C[S+]([O-])c2cc(CCCCCl)ccc21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
S1PR1 P21453 1/20 0.30

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
SCHEMBL7760492 0.96
SCHEMBL9684037 0.87 S1PR1 (0.38) THRATHRBS1PR1
SCHEMBL8109894 0.86 SIGMAR1 (0.40)
SCHEMBL8114166 0.86 TLR8 (0.36)
SCHEMBL9684946 0.86 BCHE (0.37) S1PR1
SCHEMBL9685609 0.85 DRD2 (0.39) THRATHRBS1PR1
Hydrochloric Acid SCHEMBL8870829 0.84 TLR8 (0.35)
SCHEMBL8109680 0.83 L3MBTL1 (0.41)
SCHEMBL7766397 0.83
Hydrochloric Acid SCHEMBL8871371 0.82 L3MBTL1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296477-A Antidepressants ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
US-5268381-A Antidepressant or anxiolytic compound ADIR ET COMPAGNIE (FR) 1993-12-07 US disclosed
US-5196434-A Antidepressants, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-03-23 US disclosed
EP-0478446-A1 Heterocyclic alkylamines, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-04-01 EP disclosed
US-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed