SCHEMBL165057

SCHEMBL165057

[O-][N+]1(C2CC2)CCCCC1

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
Hydrochloric Acid SCHEMBL11566416 0.97
SCHEMBL3478339 0.91
SCHEMBL6103838 0.91
SCHEMBL4941518 0.91
SCHEMBL6130363 0.91
SCHEMBL32690230 0.88
SCHEMBL7593398 0.85
SCHEMBL5744600 0.82 ALDH1A1 (0.30)
SCHEMBL4031876 0.82
SCHEMBL2775188 0.78

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-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
EP-2903970-A2 SUBSTITUTED PYRIMIDINYL KINASE INHIBITORS Portola Pharmaceuticals, Inc. (US) 2015-08-12 EP disclosed
US-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2015-02-19 US disclosed
US-8907097-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-8906925-B2 Pyrido[4,3-B]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
EP-2758394-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2014-07-30 EP disclosed
WO-2014058921-A2 SUBSTITUTED PYRIMIDINYL KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-04-17 WO disclosed
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
EP-2611802-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
WO-2013042135-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2013-03-28 WO disclosed
US-7238690-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-20060178362-A1 Substituted heterocyle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2006-08-10 US disclosed
US-7081455-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-25 US disclosed
US-20040209864-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-10-21 US disclosed
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation ROBICHAUD ALBERT J (US) 2004-07-01 US disclosed
US-6548493-B1 Serotonin receptor modulators (5-HT2C and 5-HT2A); treating obesity, anxiety, depression, psychological disorders, migraine, sexual disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
EP-1189905-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-03-27 EP disclosed
WO-2000077001-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO disclosed
US-4174453-A HYDROGENATION, ACIDFICATION ENDO LABORATORIES, INC. (US) 1979-11-13 US disclosed
US-3991199-A ANALGESICS AND SEDATIVES ENDO LABORATORIES, INC. (US) 1976-11-09 US disclosed