SCHEMBL9437823

SCHEMBL9437823

CN(CC#N)CCCCc1ccc2c(c1)[S+]([O-])CN2C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.32

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
SCHEMBL9437709 0.92 SIGMAR1 (0.33) SIGMAR1
SCHEMBL9437775 0.84 SIGMAR1 (0.36) SIGMAR1
SCHEMBL8109894 0.84 SIGMAR1 (0.40) SIGMAR1
SCHEMBL8100628 0.84 SIGMAR1 (0.36) SIGMAR1
Hydrochloric Acid SCHEMBL8958613 0.83 SIGMAR1 (0.35) SIGMAR1
SCHEMBL9437738 0.82 SIGMAR1 (0.52) SIGMAR1
SCHEMBL9684637 0.82 IRAK4 (0.33)
SCHEMBL9437858 0.81 DRD2 (0.37) SIGMAR1
SCHEMBL8100564 0.80 SIGMAR1 (0.49) SIGMAR1
SCHEMBL8869700 0.80 SIGMAR1 (0.49) SIGMAR1

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 2 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