SCHEMBL2017584

SCHEMBL2017584

CN1CCCCC1CCCC1CCCCN1C

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
ADRA2A P08913 2/20 0.50
ALDH1A1 P00352 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 3/20 0.42
HTR2A P28223 3/20 0.42
HTR7 P34969 3/20 0.42
HTR6 P50406 3/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41

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
SCHEMBL15508580 0.89 CYP1A2 (0.60) CYP1A2ADRA2AALDH1A1CHRM1DRD2
SCHEMBL19376421 0.88 CYP1A2 (0.57) CYP1A2ADRA2AALDH1A1S1PR1S1PR3
SCHEMBL3423768 0.87 CYP1A2 (0.58) CYP1A2ADRA2AALDH1A1CHRM1DRD2
SCHEMBL12535509 0.87 CYP1A2 (0.58) CYP1A2ADRA2AALDH1A1CHRM1DRD2
SCHEMBL28544210 0.87 CYP1A2 (0.58) CYP1A2ADRA2AALDH1A1CHRM1DRD2
SCHEMBL11260591 0.87 CYP1A2 (0.58) CYP1A2ADRA2AALDH1A1CHRM1DRD2
SCHEMBL4298771 0.87 CYP1A2 (0.58) CYP1A2ADRA2AALDH1A1CHRM1S1PR1
SCHEMBL1143606 0.87 CYP1A2 (0.58) CYP1A2ADRA2AALDH1A1CHRM1DRD2
Bromide SCHEMBL28435885 0.87 CYP1A2 (0.58) CYP1A2ADRA2AALDH1A1CHRM1DRD2
SCHEMBL9996651 0.87 CYP1A2 (0.58) CYP1A2ADRA2AALDH1A1CHRM1DRD2

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
CN-118634625-A Environmental control system utilizing anion-conducting membranes FFI艾欧尼克斯IP公司 2024-09-13 CN disclosed
CN-115362014-A Environmental control system utilizing anion-conducting membranes FFI艾欧尼克斯IP公司 2022-11-18 CN disclosed
CN-111936583-B Mixed composition 住友化学株式会社 2022-07-08 CN disclosed
CN-110799573-B Photochromic polyrotaxane compound, and curable composition comprising same 株式会社德山 2022-06-03 CN disclosed
CN-113993636-A Coating film and method for producing same 住友化学株式会社 2022-01-28 CN disclosed
CN-106554710-B A kind of paint for plastics composition and preparation method thereof, the coating formed using and by it 比亚迪股份有限公司 2019-08-13 CN disclosed
EP-3198052-A1 INTERNAL COMBUSTION ENGINE COMPONENTS WITH ANTI-FOULING PROPERTIES AND METHODS OF MAKING SAME 3M Innovative Properties Company (US) 2017-08-02 EP disclosed
EP-2516512-A1 PROCESS FOR PREPARING SHELF-STABLE CURABLE POLYSILAZANES, AND POLYSILAZANES PREPARED THEREBY 3M Innovative Properties Company (US) 2012-10-31 EP disclosed
WO-2011079020-A1 PROCESS FOR PREPARING SHELF-STABLE CURABLE POLYSILAZANES, AND POLYSILAZANES PREPARED THEREBY 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-06-30 WO disclosed
EP-1723209-A1 PERHYDROPOLYSILAZANE- CONTAINING COATINGS FOR METAL AND POLYMER SURFACES CLARIANT INTERNATIONAL LTD. (CH) 2006-11-22 EP disclosed
EP-1618153-A1 USE OF POLYSILAZANE FOR THE PRODUCTION OF HYDROPHOBICALLY AND OLEOPHOBICALLY MODIFIED SURFACES Clariant GmbH (DE) 2006-01-25 EP disclosed
WO-2005085374-A1 PERHYDROPOLYSILAZANE- CONTAINING COATINGS FOR METAL AND POLYMER SURFACES CLARIANT INTERNATIONAL LTD (CH) 2005-09-15 WO disclosed
WO-2004094531-A1 USE OF POLYSILAZANE FOR THE PRODUCTION OF HYDROPHOBICALLY AND OLEOPHOBICALLY MODIFIED SURFACES CLARIANT GMBH (DE) 2004-11-04 WO disclosed