SCHEMBL7400032

SCHEMBL7400032

Cc1cc(-c2nnc3c4c(c(Cl)nn23)C2CCC4CC2)no1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.57
GABRG2 P18507 20/20 0.57
GABRB3 P28472 20/20 0.57
GABRA5 P31644 20/20 0.57
GABRA3 P34903 20/20 0.57
GABRA2 P47869 20/20 0.57
GABRA4 P48169 1/20 0.40
GABRA6 Q16445 1/20 0.40

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
SCHEMBL31226164 0.80 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7656224 0.79 GABRG2 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31226119 0.79 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7662252 0.78 GABRG2 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31058084 0.75 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1258627 0.75 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7545847 0.74 GABRG2 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10969056 0.74 RXFP1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7652809 0.74 GABRG2 (0.93) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7481780 0.73 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3

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