SCHEMBL243850

SCHEMBL243850

NCN(C1CCCCC1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ ADH1A P07327 4/20 0.35
▸ ADH1C P00326 2/20 0.34
▸ TP53 P04637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL6968386 0.84 — —
SCHEMBL1685455 0.78 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL2307724 0.77 EPHX1 (0.36) CYP2D6CYP2C9CYP2C19EPHX1ADH1A
Hydrochloric Acid SCHEMBL6895716 0.76 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL10170019 0.75 ADH1A (0.39) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL3109021 0.75 ADH1A (0.38) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL14446110 0.74 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL1685460 0.74 SIGMAR1 (0.41) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL24437912 0.72 SIGMAR1 (0.45) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL4351532 0.72 HRH3 (0.45) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462109-B1 METHOD FOR PRODUCING ISOCYANATES BASF SE (DE) 2014-03-19 — — EP claimed
US-8492580-B2 Process for preparing isocyanates BASF SE (DE) 2013-07-23 — — US claimed
EP-2456804-A1 CATALYSIS OF EPOXY RESIN FORMULATIONS HAVING SPARINGLY SOLUBLE CATALYSTS Evonik Degussa GmbH (DE) 2012-05-30 — — EP claimed
US-20120115988-A1 CATALYSIS OF EPOXY RESIN FORMULATIONS HAVING SPARINGLY SOLUBLE CATALYSTS EVONIK DEGUSSA GMBH (DE) 2012-05-10 — — US claimed
US-20110207961-A1 PROCESS FOR PREPARING ISOCYANATES BASF SE (DE) 2011-08-25 — — US claimed
WO-2011009648-A1 CATALYSIS OF EPOXY RESIN FORMULATIONS HAVING SPARINGLY SOLUBLE CATALYSTS EVONIK DEGUSSA GMBH (DE) 2011-01-27 — — WO claimed
CN-114057987-A Water-dispersible polyurethane-urea resin composition for synthetic leather and preparation method thereof 东成化学有限公司 2022-02-18 — — CN disclosed
CN-105838086-B Preparation method of sulfonated carbon nanotube grafted hydroxylated polyether-ether-ketone/polyether-ether-ketone composite material 太原理工大学 2020-06-05 — — CN disclosed
CN-110225964-A Composition with muguet odour 弗门尼舍有限公司 2019-09-10 — — CN disclosed
CN-105838086-A Preparation method of sulfonated carbon nano tube grafted hydroxylated polyether-ether-ketone/polyether-ether-ketone composite material 太原理工大学 2016-08-10 — — CN disclosed
CN-105199001-A Preparation method of cellulose long-chain aliphatic ester or long-chain and short-chain mixed acid ester NANTONG CELLULOSE FIBERS CO 2015-12-30 — — CN disclosed
EP-2462109-B1 METHOD FOR PRODUCING ISOCYANATES BASF SE (DE) 2014-03-19 — — EP disclosed
CN-103554496-A Retarding and plastic-retaining type polycarboxylate superplasticizer and preparation method thereof SHANGHAI TAIJIE CHEMICAL CO LTD 2014-02-05 — — CN disclosed
US-20120115988-A1 CATALYSIS OF EPOXY RESIN FORMULATIONS HAVING SPARINGLY SOLUBLE CATALYSTS EVONIK DEGUSSA GMBH (DE) 2012-05-10 — — US disclosed
EP-2411436-A1 PRODUCTION OF RIGID POLYURETHANE FOAMS AND THE USE THEREOF Dow Global Technologies LLC (US) 2012-02-01 — — EP disclosed
US-20120004334-A1 PRODUCTION OF RIGID POLYURETHANE FOAMS AND THE USE THEREOF DOW GLOBAL TECHNOLOGIES LLC (US) 2012-01-05 — — US disclosed
US-20110207961-A1 PROCESS FOR PREPARING ISOCYANATES BASF SE (DE) 2011-08-25 — — US disclosed
WO-2011015541-A1 METHOD FOR PRODUCING ISOCYANATES BASF SE (DE) 2011-02-10 — — WO disclosed
WO-2011009648-A1 CATALYSIS OF EPOXY RESIN FORMULATIONS HAVING SPARINGLY SOLUBLE CATALYSTS EVONIK DEGUSSA GMBH (DE) 2011-01-27 — — WO disclosed
WO-2010111021-A1 PRODUCTION OF RIGID POLYURETHANE FOAMS AND THE USE THEREOF DOW GLOBAL TECHNOLOGIES INC. (US) 2010-09-30 — — WO disclosed
Send feedback