SCHEMBL7500892

SCHEMBL7500892

CCc1noc(-c2nnc3c4c(c(OCc5cccc(C)n5)nn23)C2CCC4CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 1.00
GABRB3 P28472 20/20 1.00
GABRA5 P31644 20/20 1.00
GABRA3 P34903 17/20 1.00
GABRA2 P47869 17/20 1.00
GABRA1 P14867 13/20 1.00

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
SCHEMBL7401702 0.90 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7658736 0.87 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7652900 0.85 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7400729 0.85 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7398336 0.83 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2652547 0.82 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
Hydrochloric Acid SCHEMBL2646454 0.81 GABRG2 (0.98) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7650934 0.80 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7397994 0.80 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7658607 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
US-6465462-B1 COGNITION ENHANCEMENT FOR DEMENTING ILLNESSES SUCH AS ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. 2002-10-15 US disclosed
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 disclosed
WO-1998004560-A1 SUBSTITUTED TRIAZOLO PYRIDAZINE DERIVATIVES AS INVERSE AGONISTS OF THE GABAAα5 RECEPTOR SUBTYPE MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 WO disclosed