SCHEMBL6168636

SCHEMBL6168636

c1cncc(Cc2ncc[nH]2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.68
HRH4 Q9H3N8 2/20 0.53
HRH3 Q9Y5N1 2/20 0.53
HTR1A P08908 1/20 0.46
MMP2 P08253 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
HTT P42858 1/20 0.45
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
TSHR P16473 1/20 0.44
CHRNA7 P36544 1/20 0.43

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
SCHEMBL31688985 1.00 TAAR1 (0.68) TAAR1HRH4HRH3HTR1AMMP2
SCHEMBL957832 0.83 TAAR1 (0.55) TAAR1HRH3HTR1ACYP1A2ADRA2A
SCHEMBL9243 0.81 TAAR1 (1.00) TAAR1HTR1ACYP2D6ADRA2AADRA2B
SCHEMBL7381000 0.80 TAAR1 (0.47) TAAR1HRH4HRH3HTTCYP2D6
SCHEMBL1795069 0.80 CYP1A2 (0.66) TAAR1HTTCYP2D6CYP1A2ADRA2C
SCHEMBL31414967 0.79 TAAR1 (0.75) TAAR1HTR1ACYP2D6ADRA2AADRA2B
Bromide SCHEMBL29135558 0.79 TAAR1 (0.96) TAAR1HTR1ACYP2D6ADRA2AADRA2B
Ammonia Solution, Strong SCHEMBL27639428 0.79 TAAR1 (0.96) TAAR1HTR1ACYP2D6ADRA2AADRA2B
Hydrochloric Acid SCHEMBL27290500 0.79 TAAR1 (0.96) TAAR1HTR1ACYP2D6ADRA2AADRA2B
Methane SCHEMBL28185797 0.79 TAAR1 (0.96) TAAR1HTR1ACYP2D6ADRA2AADRA2B

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-2977406-B1 CURABLE COMPOSITION LG CHEMICAL LTD (KR) 2024-01-24 EP disclosed
EP-3692088-B1 LATENT CATALYSTS WITH CHELATE LIGANDS FOR POLYMERIZATION OF DICYCLOPENTADIENE (DCPD) UNIV STUTTGART (DE) 2023-08-02 EP disclosed
US-10457842-B2 Curable composition LG CHEM, LTD. (KR) 2019-10-29 US disclosed
EP-2977406-A1 CURABLE COMPOSITION LG Chem, Ltd. (KR) 2016-01-27 EP disclosed
US-20150368528-A1 CURABLE COMPOSITION LG CHEM, LTD. (KR) 2015-12-24 US disclosed
EP-1417177-A4 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-10-19 EP disclosed
CN-1553900-A Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents ��ʱ��ʩ����ҩ��˾ 2004-12-08 CN disclosed
EP-1417177-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
CN-1477960-A EPA receptor inhibitors to treat rheumatoid arthritis 2004-02-25 CN disclosed
WO-2003007883-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-01-30 WO disclosed
CN-1297442-A 5-aminoindeno [1,2-c] pyrazol-4-ones as anti-cancer and anti-proliferative agents DU PONT PHARM CO (US) 2001-05-30 CN disclosed
EP-1071668-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Du Pont Pharmaceuticals Company (US) 2001-01-31 EP disclosed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 WO disclosed