SCHEMBL8092278

SCHEMBL8092278

c1ccc(CCCNC2Cc3ccccc3C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 13/20 1.00
SIGMAR1 Q99720 4/20 1.00
GRIN1 Q05586 2/20 0.71

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
SCHEMBL8096625 0.89 GRIN2B (1.00) GRIN2BSIGMAR1GRIN1
Hydrochloric Acid SCHEMBL10447147 0.87 GRIN2B (0.96) GRIN2BSIGMAR1GRIN1
SCHEMBL8092947 0.86 SIGMAR1 (1.00) GRIN2BSIGMAR1GRIN1
SCHEMBL8092549 0.83 GRIN2B (1.00) GRIN2BSIGMAR1GRIN1
SCHEMBL20689713 0.83 GRIN2B (0.73) GRIN2BSIGMAR1GRIN1
SCHEMBL27929338 0.79 GRIN2B (0.71) GRIN2BSIGMAR1GRIN1
SCHEMBL25006478 0.78 GRIN2B (0.78) GRIN2BSIGMAR1GRIN1
SCHEMBL18263413 0.78 GRIN2B (0.64) GRIN2BSIGMAR1GRIN1
SCHEMBL7325905 0.78 GRIN2B (0.70) GRIN2BSIGMAR1GRIN1
Hydrochloric Acid SCHEMBL9396249 0.77 GRIN2B (0.69) GRIN2BSIGMAR1GRIN1

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 9 patents. 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 claimed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP claimed
EP-0507863-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF 1993-07-07 EP claimed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO claimed
EP-0507863-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1992-10-14 EP claimed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO claimed
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
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO disclosed