SCHEMBL2652802

SCHEMBL2652802

c1ccc(-c2nnc3cc(-c4ccsc4)c(OCc4ccccn4)nn23)cc1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.80
GABRB3 P28472 20/20 0.80
GABRA3 P34903 20/20 0.80
GABRA2 P47869 20/20 0.80
GABRA1 P14867 19/20 0.80
GABRA5 P31644 18/20 0.57

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
SCHEMBL340810 0.90 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL341592 0.88 GABRG2 (0.91) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL340282 0.86 GABRG2 (0.84) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL341099 0.85 GABRA1 (0.89) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL340811 0.84 GABRG2 (0.77) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL342712 0.82 GABRA1 (0.53) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL340361 0.82 GABRG2 (0.55) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL342166 0.81 GABRG2 (0.79) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL341511 0.80 GABRA1 (0.71) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL2657117 0.80 GABRG2 (0.73) GABRG2GABRB3GABRA3GABRA2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915875-B1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-04-09 EP claimed
US-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US claimed
US-6063783-A Analgesic use of triazolo-pyridazine derivatives MERCK SHARP & DOHME LTD. (GB) 2000-05-16 US claimed
US-6046196-A Antispastic use of triazolo-pyridazine derivatives MERCK SHARP & DOHME LTD. (GB) 2000-04-04 US claimed
WO-1999025353-A1 THERAPEUTIC USES OF TRIAZOLO-PYRIDAZINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1999-05-27 WO claimed
EP-0915875-B1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-04-09 EP disclosed
US-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US disclosed
US-6174886-B1 TREATMENT AND/OR PREVENTION OF PSYCHOTIC DISORDERS INCLUDING SCHIZOPHRENIA WITH REDUCED SEDATION; SELECTIVE LIGANDS FOR GAMMA-AMINOBUTYRIC ACID A RECEPTORS, IN PARTICULAR HAVING HIGH AFFINITY FOR THE ALPHA2 AND/OR ALPHA3 SUBUNIT MERCK SHARP & DOHME LTD. (GB) 2001-01-16 US disclosed
EP-1047427-A1 COMBINATION OF A GABA-A ALPHA 2/3 AGONIST AND A SELECTIVE SEROTONIN REUPTAKE INHIBITOR MERCK SHARP & DOHME LTD. (GB) 2000-11-02 EP disclosed
US-6110915-A Antiemetic use of triazolo-pyridazine derivatives MERCK & CO., INC. (US) 2000-08-29 US disclosed
US-6107296-A Neuroprotective use of triazolo-pyridazine derivatives MERCK SHARP & DOHME, LTD. (GB) 2000-08-22 US disclosed
US-6063783-A Analgesic use of triazolo-pyridazine derivatives MERCK SHARP & DOHME LTD. (GB) 2000-05-16 US disclosed
US-6046196-A Antispastic use of triazolo-pyridazine derivatives MERCK SHARP & DOHME LTD. (GB) 2000-04-04 US 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