SCHEMBL1721038

SCHEMBL1721038

C1=CC2=C3CNCC3CCC2C=C1

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
SCHEMBL611093 0.85
SCHEMBL5569849 0.84
SCHEMBL2598070 0.84
SCHEMBL1919608 0.76
SCHEMBL9687572 0.75
SCHEMBL7383347 0.74 DRD2 (0.31)
SCHEMBL7396041 0.70
SCHEMBL3646780 0.70
Hydrochloric Acid SCHEMBL3651701 0.69
SCHEMBL2599072 0.68

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765829-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORPORATION (US) 2007-03-28 EP claimed
WO-2006002051-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORPORATION (US) 2006-01-05 WO claimed
EP-0422134-A4 5-HT SELECTIVE AGENTS 1992-05-06 EP claimed
US-8729274-B2 Tricyclic heterocyclic derivatives MERCK SHARP & DOHME B.V. (NL) 2014-05-20 US disclosed
US-20120232122-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-09-13 US disclosed
EP-2406217-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES MSD Oss B.V. (NL) 2012-01-18 EP disclosed
WO-2010103001-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2010-09-16 WO disclosed
EP-0805812-B1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ(E)ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS ABBOTT LAB (US) 2001-06-13 EP disclosed
EP-0808318-B1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LAB (US) 2000-06-28 EP disclosed
EP-0808318-A1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS Abbott Laboratories (US) 1997-11-26 EP disclosed
EP-0805812-A1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ(E)ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS Abbott Laboratories (US) 1997-11-12 EP disclosed
EP-0422134-A4 5-HT SELECTIVE AGENTS 1992-05-06 EP disclosed
EP-0482084-A1 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES. UPJOHN CO (US) 1992-04-29 EP disclosed
EP-0461353-A1 Biogenic amine uptake inhibitors ABBOTT LABORATORIES (US) 1991-12-18 EP disclosed
EP-0422134-A1 5-HT SELECTIVE AGENTS. ABBOTT LAB (US) 1991-04-17 EP disclosed
WO-1991000856-A2 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1991-01-24 WO disclosed
WO-1990006927-A1 5-HT SELECTIVE AGENTS ABBOTT LABORATORIES (US) 1990-06-28 WO disclosed
EP-0095666-B1 TETRAHYDRO-BENZO(E) ISOINDOLINES ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed
US-4618683-A Tetrahydro-6,7-dimethoxy-1H-benz[e]isoinodolines useful in the treatment of hypertension and as sedatives ABBOTT LABORATORIES (US) 1986-10-21 US disclosed
US-4618683-A Tetrahydro-6,7-dimethoxy-1H-benz[e]isoinodolines useful in the treatment of hypertension and as sedatives ABBOTT LABORATORIES (US) 1986-10-21 US disclosed