SCHEMBL12428566

SCHEMBL12428566

CC(=N)n1cccn1

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
SCHEMBL14936408 0.79 NOS1 (0.65)
SCHEMBL3506516 0.79
Hydrochloric Acid SCHEMBL3372305 0.78 NOS1 (0.52)
SCHEMBL5378534 0.77
SCHEMBL607368 0.77
SCHEMBL1680220 0.75
SCHEMBL31340016 0.75
Praxadine SCHEMBL94070 0.75
SCHEMBL15101304 0.75
SCHEMBL14385207 0.75

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 WO disclosed
EP-2919779-B1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS US HEALTH (US) 2021-01-06 EP disclosed
US-10683270-B2 Cannabinoid receptor mediating compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-06-16 US disclosed
EP-3495354-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF Shandong Luye Pharmaceutical Co., Ltd. (CN) 2019-06-12 EP disclosed
US-20180022706-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-01-25 US disclosed
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2017-08-31 US disclosed
US-9670151-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2017-06-06 US disclosed
US-9309214-B2 Method for manufacturing neuraminic acid derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-04-12 US disclosed
US-9303008-B2 Method for manufacturing neuraminic acid derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-04-05 US disclosed
US-20150376156-A1 NEURAMINIC ACID DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-12-31 US disclosed
US-20150376155-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-12-31 US disclosed
US-20150266817-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2015-09-24 US disclosed
US-20150259314-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-17 US disclosed
US-20140018417-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-16 US disclosed
US-8575370-B2 Method for manufacturing neuraminic acid derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-11-05 US disclosed
US-20130197072-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES DAIICHI SANKYO CO., LTD. (JP) 2013-08-01 US disclosed
US-8455659-B2 Method for manufacturing neuraminic acid derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 US disclosed
US-7981923-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US disclosed