SCHEMBL8084154

SCHEMBL8084154

O=C1c2ccccc2C(=O)N1CCCCCN1CCN(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 1.00
HTR7 P34969 1/20 0.71
KCNH2 Q12809 1/20 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
SCHEMBL3029003 0.98 HTR1A (1.00) HTR1AHTR7KCNH2
SCHEMBL7986148 0.95 HTR1A (1.00) HTR1AHTR7
SCHEMBL11837243 0.90 HTR7 (0.84) HTR1AHTR7
SCHEMBL11838777 0.90 HTR7 (0.84) HTR1AHTR7
SCHEMBL3026254 0.89 HTR1A (0.83) HTR1A
SCHEMBL11631929 0.88 HTR7 (0.82) HTR1AHTR7
SCHEMBL14028451 0.87 HTR1A (0.79) HTR1A
SCHEMBL21802068 0.87 HTR1A (0.80) HTR1AHTR7
SCHEMBL12124719 0.87 HTR1A (0.80) HTR1A
SCHEMBL9377848 0.86 HTR1A (0.77) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP claimed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO 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