SCHEMBL8092974

SCHEMBL8092974

CCOc1ccc(CC(C)NCCCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 1.00
SLC2A1 P11166 1/20 0.63

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
SCHEMBL22043526 0.86 SIGMAR1 (1.00) SIGMAR1SLC2A1
SCHEMBL21985949 0.86 SIGMAR1 (1.00) SIGMAR1SLC2A1
SCHEMBL19469329 0.86 SIGMAR1 (1.00) SIGMAR1SLC2A1
SCHEMBL22043276 0.86 SIGMAR1 (1.00) SIGMAR1SLC2A1
SCHEMBL8091471 0.86 SIGMAR1 (1.00) SIGMAR1SLC2A1
SCHEMBL19469330 0.86 SIGMAR1 (1.00) SIGMAR1SLC2A1
SCHEMBL22043230 0.85 SIGMAR1 (1.00) SIGMAR1
SCHEMBL18645287 0.85 SIGMAR1 (1.00) SIGMAR1
SCHEMBL13589884 0.85 SIGMAR1 (1.00) SIGMAR1
Hydrochloric Acid SCHEMBL19469327 0.85 SIGMAR1 (0.97) SIGMAR1SLC2A1

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
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed