SCHEMBL9822816

SCHEMBL9822816

O=C1C2CC(C(=O)N1CCCCN1CCN(c3cncc(Cl)n3)CC1)C1C2C2C3CC4C2C4C31

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL10660956 0.90
SCHEMBL9823024 0.87
SCHEMBL13532584 0.85
SCHEMBL13532586 0.84 HTR1A (0.50)
SCHEMBL9527435 0.84
SCHEMBL10556971 0.84 HTR1A (0.55)
SCHEMBL9526336 0.83
SCHEMBL9823084 0.83
SCHEMBL9600927 0.82 HTR1A (0.44)
SCHEMBL9527982 0.81

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-0286263-B1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-15 EP claimed
US-4797488-A N-((4-(PHENYL OR HETEROCYCLIC)PIPERAZIN-1-YL)ALKYL)-1,5-METHANOCYCLOPENT(D)AZEPINE-2,4 -DIONES; ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-10 US claimed
EP-0286263-A1 Psychotropic polycyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-12 EP claimed
EP-0286263-B1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-15 EP disclosed
US-4824999-A INTERMEDIATES FOR ANTIPSYCHOTIC AND ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-25 US disclosed
US-4797488-A N-((4-(PHENYL OR HETEROCYCLIC)PIPERAZIN-1-YL)ALKYL)-1,5-METHANOCYCLOPENT(D)AZEPINE-2,4 -DIONES; ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-10 US disclosed