SCHEMBL4798477

SCHEMBL4798477

CCN=C=NCCCN(C)C.CCN=C=NCCCN(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
CYP2D6 P10635 1/20 1.00
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
DNM1 Q05193 3/20 0.37
HRH4 Q9H3N8 2/20 0.33
HRH2 P25021 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.32
BACH1 O14867 1/20 0.30
MAFK O60675 1/20 0.30

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
SCHEMBL1372 1.00 CYP1A2 (1.00) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Hydrochloric Acid SCHEMBL1595766 0.98 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Bromide SCHEMBL22418547 0.98 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Iodide SCHEMBL660783 0.98 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1
SCHEMBL2597843 0.98 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1
SCHEMBL2645833 0.98 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Hydrochloric Acid SCHEMBL2761 0.98 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Ammonia Solution, Strong SCHEMBL21805838 0.98 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Water SCHEMBL1475933 0.98 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1
SCHEMBL31435659 0.98 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630738-B1 PROCESS FOR THE PRODUCTION OF OZANIMOD EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2023-07-19 EP claimed
CN-117159736-A Lipid nanoparticle for targeted delivery of nucleic acid and preparation method and application thereof 香港大学深圳医院 2023-12-05 CN disclosed
CN-109053494-A The method of purification of 1- ethyl-(3- dimethylaminopropyl) carbodiimide hydrochloride 山东金城柯瑞化学有限公司 2018-12-21 CN disclosed
CN-103100114-B Preparation method of medical metal surface slow-released growth factor coating UNIV JIAOTONG SOUTHWEST 2014-05-21 CN disclosed
CN-103100114-A Preparation method of medical metal surface slow-released growth factor coating UNIV JIAOTONG SOUTHWEST 2013-05-15 CN disclosed
EP-1932837-A1 BICYCLO HETEROCYCLIC COMPOUND HAVING ANTIFUNGAL ACTION Daiichi Sankyo Company, Limited (JP) 2008-06-18 EP disclosed