SCHEMBL2106319

SCHEMBL2106319

O=C1CCC(=O)N1CBr

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
SCHEMBL7279979 0.88 KMT2A (0.42)
SCHEMBL16116449 0.81
SCHEMBL3128954 0.77 POLB (0.38)
SCHEMBL8862946 0.73 CHRM2 (0.41)
SCHEMBL8863095 0.73 POLB (0.43)
SCHEMBL4390120 0.73 MEN1 (0.44)
SCHEMBL10807717 0.71
SCHEMBL10973154 0.71 FAAH (0.46)
SCHEMBL9031379 0.69 CHRM2 (0.59)
SCHEMBL13907969 0.69 ALDH1A1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651875-B1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECH AG (CH) 2017-08-30 EP disclosed
US-9290603-B2 Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG (CH) 2016-03-22 US disclosed
EP-2651875-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP disclosed
US-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2013-09-12 US disclosed
WO-2012080264-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2012-06-21 WO disclosed
EP-2465842-A1 Amines with secondary aliphatic amines Sika Technology AG (CH) 2012-06-20 EP disclosed
US-8157950-B2 Aldimine and composition containing aldimine SIKA TECHNOLOGY AG (CH) 2012-04-17 US disclosed
US-20110253309-A1 ALDIMINE AND COMPOSITION CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2011-10-20 US disclosed
EP-2194082-B1 Aldimine and composition comprising aldimine SIKA TECHNOLOGY AG (CH) 2011-09-07 EP disclosed
WO-2010063741-A1 ALDIMINE AND COMPOSITION CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2010-06-10 WO disclosed
US-4412999-A Anti-emetic esters of cyproheptadine-3-carboxylic acid and structurally related compounds MERCK & CO., INC. (US) 1983-11-01 US disclosed
EP-0092114-A2 Esters of cyproheptadine-3-carboxylic acid and structurally related compounds, process for their preparation and pharmaceutical composition containing them MERCK & CO. INC. (US) 1983-10-26 EP disclosed
US-4198413-A HYPOTENSIVE AGENTS MERCK & CO., INC. (US) 1980-04-15 US disclosed
US-4181661-A SCHIZOPHRENIA, PSYCHOLOGICAL DISORDERS MERCK & CO., INC. (US) 1980-01-01 US disclosed
US-4143146-A HYPOTENSIVE AGENTS MERCK & CO., INC. (US) 1979-03-06 US disclosed
US-4058530-A PHENYLALANINE, ANTIHYPERTENSIVE MERCK & CO., INC. (US) 1977-11-15 US disclosed
US-4051169-A HYPOTENSIVE AGENTS MERCK & CO., INC. (US) 1977-09-27 US disclosed
US-4038411-A ANTIHYPERTENSIVE AMINO ACID ESTERS MERCK & CO., INC. (US) 1977-07-26 US disclosed
US-3988341-A Esterification process MERCK & CO., INC. (US) 1976-10-26 US disclosed
US-3983138-A HYPOTENSIVES MERCK & CO., INC. (US) 1976-09-28 US disclosed