SCHEMBL1721037

SCHEMBL1721037

C1=CC2CC=C3CNCC3C2C=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
SCHEMBL4892282 0.83
SCHEMBL8806185 0.69
SCHEMBL29636819 0.67
SCHEMBL9118567 0.64
SCHEMBL9034589 0.64
SCHEMBL7797825 0.64
SCHEMBL2724026 0.62
Bromide SCHEMBL10911861 0.61
SCHEMBL8663400 0.57 KDM1A (0.34)
SCHEMBL9966918 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5597823-A TREATING BENIGN PROSTATIC HYPERPLASIA ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
WO-1996022991-A1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 WO disclosed
EP-0539209-A1 Benzo-isoquinoline derivatives and analogs and their use in therapeutics THE UPJOHN COMPANY (US) 1993-04-28 EP disclosed
US-5180733-A Antidepressants or nervous systen disorders ABBOTT LABORATORIES (US) 1993-01-19 US disclosed
WO-1992021654-A2 CARBOXAMIDO-(3,2N)-CARBOCYCLIC-2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1992-12-10 WO disclosed
WO-1992020655-A1 CARBOXAMIDO-(1,2N)-CARBOCYCLIC-2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1992-11-26 WO 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
WO-1991000856-A2 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1991-01-24 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