SCHEMBL7399747

SCHEMBL7399747

Cc1nc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)co1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.80
GABRB3 P28472 20/20 0.80
GABRA5 P31644 20/20 0.80
GABRA3 P34903 19/20 0.80
GABRA2 P47869 19/20 0.80
GABRA1 P14867 16/20 0.80

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
SCHEMBL7650934 0.89 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7652809 0.83 GABRG2 (0.93) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2646664 0.82 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7655293 0.82 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7652992 0.82 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7654591 0.82 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2653946 0.82 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7655935 0.81 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7654070 0.80 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2646761 0.80 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915877-A1 SUBSTITUTED TRIAZOLO PYRIDAZINE DERIVATIVES AS INVERSE AGONISTS OF THE GABA A?$g(a)5 RECEPTOR SUBTYPE MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP claimed
WO-1998004560-A1 SUBSTITUTED TRIAZOLO PYRIDAZINE DERIVATIVES AS INVERSE AGONISTS OF THE GABAAα5 RECEPTOR SUBTYPE MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 WO claimed
US-6465462-B1 COGNITION ENHANCEMENT FOR DEMENTING ILLNESSES SUCH AS ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. 2002-10-15 US disclosed