SCHEMBL2643825

SCHEMBL2643825

c1[nH]nnc1CCN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A3 Q01959 1/20 0.40
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL4247408 0.98 CYP1A2 (0.43) HRH3L3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL2643623 0.89 HRH3 (0.41) HRH3L3MBTL1SIGMAR1HRH4
SCHEMBL2644874 0.86 SIGMAR1 (0.41) HRH3L3MBTL1CYP3A4CYP2D6SLC6A3
SCHEMBL1906096 0.84 SIGMAR1 (0.41) HRH3CYP1A2SIGMAR1
SCHEMBL935277 0.81 HRH3 (0.39) HRH3L3MBTL1HRH4
SCHEMBL1968524 0.79 HRH3 (0.42) HRH3L3MBTL1CYP2D6HRH4
SCHEMBL4678193 0.76 NOS3 (0.33) SIGMAR1
SCHEMBL2644533 0.76 SIGMAR1 (0.49) HRH3L3MBTL1SIGMAR1
SCHEMBL34468097 0.76 NOS3 (0.48) HRH3SIGMAR1HRH4
SCHEMBL2644215 0.75 SIGMAR1 (0.47) HRH3CYP1A2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399608-B1 FLUOXETINE, PAROXETINE OR SERTRALINE WITH 1,2,4-TRIAZOLO (4,3-B)PYRIDAZINE DERIVATIVE; NONSEDATING ANXIOLYTIC MODULATOR OF BENZODIAZEPINE BINDING SITE OF GAMMA AMINO-BUTYRIC ACID RECEPTOR; CENTRAL NERVOUS SYSTEM MERCK SHARP & DOHME LTD. (GB) 2002-06-04 US claimed
WO-2023152042-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2023-08-17 WO disclosed
EP-1121361-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2007-08-29 EP disclosed
US-6872720-B2 Pyrazolo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. 2005-03-29 US disclosed
US-6730676-B2 CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS MERCK SHARP & DOHME LTD. 2004-05-04 US disclosed
US-6730681-B2 ANXIOLYTIC AGENTS AND ANTICONVULSANTS MERCK SHARP & DOHME LTD. 2004-05-04 US disclosed
US-6699859-B1 TREATMENT OF ANXIETY AND CONVULSIONS. MERCK SHARP & DOHME LTD. (GB) 2004-03-02 US disclosed
EP-1212324-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-10-29 EP disclosed
EP-1049697-B1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-09-17 EP disclosed
US-6608062-B1 Ligands for gamma-aminobutyric acid receptors; treatment and/or prevention of central nervous system disorders, including anxiety MERCK SHARP & DOHME LTD. 2003-08-19 US disclosed
WO-1999065907-A1 TRIAZOLO-PYRIMIDINES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-12-23 WO disclosed
WO-1999065904-A1 TRIAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-12-23 WO disclosed
WO-1999037646-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed
WO-1999037303-A1 COMBINATION OF A GABA-A ALPHA 2/3 AGONIST AND A SELECTIVE SEROTONIN REUPTAKE INHIBITOR MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed
WO-1999037645-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed
WO-1999037649-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed
WO-1999036423-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-22 WO disclosed
WO-1999025353-A1 THERAPEUTIC USES OF TRIAZOLO-PYRIDAZINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1999-05-27 WO disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 WO disclosed