SCHEMBL14723543

SCHEMBL14723543

c1cn(C2CCCCCCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.47
CYP19A1 P11511 2/20 0.39
CYP17A1 P05093 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
PGR P06401 1/20 0.33
QPCT Q16769 2/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.32
HSD17B10 Q99714 1/20 0.32
QPCTL Q9NXS2 1/20 0.32
F10 P00742 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PDE5A O76074 1/20 0.31

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
SCHEMBL10647110 1.00 CYP2B6 (0.47) CYP2B6CYP19A1CYP17A1CYP3A4CYP2D6
SCHEMBL285095 1.00 CYP2B6 (0.47) CYP2B6CYP19A1CYP17A1CYP3A4CYP2D6
SCHEMBL22939999 1.00 CYP2B6 (0.47) CYP2B6CYP19A1CYP17A1CYP3A4CYP2D6
Water SCHEMBL28907403 0.98 CYP2B6 (0.46) CYP2B6CYP19A1CYP17A1CYP3A4CYP2D6
SCHEMBL4872099 0.98 CYP2B6 (0.44) CYP2B6CYP19A1CYP17A1CYP3A4CYP2D6
SCHEMBL10068593 0.93
SCHEMBL945421 0.88
Hydrochloric Acid SCHEMBL28498519 0.86 CYP19A1 (0.39) CYP2B6CYP19A1CYP17A1CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL28860953 0.86
SCHEMBL27449735 0.85 CYP19A1 (0.36) CYP2B6CYP19A1CYP17A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2878707-B1 COMPOSITION FOR REMOVING AND PREVENTING FORMATION OF OXIDE ON THE SURFACE OF METAL WIRE LTC CO LTD (KR) 2019-04-03 EP disclosed
CN-104662202-B Composition for removing and preventing oxide formation on metal wire surface LTC有限公司 2017-06-20 CN disclosed
US-9390864-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2016-07-12 US disclosed
US-9353339-B2 Composition for removing and preventing formation of oxide on the surface of metal wire LTC CO., LTD. (KR) 2016-05-31 US disclosed
US-20150340165-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150299628-A1 Composition for Removing and Preventing Formation of Oxide on the Surface of Metal Wire LTC CO., LTD. (KR) 2015-10-22 US disclosed
US-9159499-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2015-10-13 US disclosed
EP-2878707-A1 COMPOSITION FOR REMOVING AND PREVENTING FORMATION OF OXIDE ON THE SURFACE OF METAL WIRE LTC Co., Ltd. (KR) 2015-06-03 EP disclosed
CN-104662202-A Composition for removing and preventing oxide formation on metal wire surface LTC CO LTD 2015-05-27 CN disclosed
EP-2820105-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS Merck Patent GmbH (DE) 2015-01-07 EP disclosed
US-20140190567-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS MERCK PATENT GMBH (DE) 2014-07-10 US disclosed
WO-2013026563-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS MERCK PATENT GMBH (DE) 2013-02-28 WO disclosed
CN-1130377-A Cyclic amide derivatives OTSUKA PHARMA CO LTD (JP) 1996-09-04 CN disclosed