SCHEMBL7002486

SCHEMBL7002486

Cn1cnc(COc2nn3c(-c4cc(Cl)on4)nnc3cc2C2(C)CCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 16/20 0.38
GABRG2 P18507 16/20 0.38
GABRB3 P28472 16/20 0.38
GABRA3 P34903 16/20 0.38
GABRA2 P47869 15/20 0.38
GABRA5 P31644 11/20 0.38
GABRA4 P48169 2/20 0.31
GABRA6 Q16445 1/20 0.31

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
SCHEMBL7002212 0.91 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2658010 0.89 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2654714 0.86 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7001299 0.85 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6999123 0.84 GABRG2 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2658887 0.82 GABRG2 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL340913 0.82 GABRG2 (0.57) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL342632 0.80 GABRG2 (0.57) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2658890 0.80 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL342294 0.79 GABRG2 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2

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-1107967-B1 TRIAZOLOPYRIDAZINE DERIVATIVES FOR ENHANCING COGNITION MERCK SHARP & DOHME (GB) 2003-05-14 EP claimed
EP-1107967-B1 TRIAZOLOPYRIDAZINE DERIVATIVES FOR ENHANCING COGNITION MERCK SHARP & DOHME (GB) 2003-05-14 EP disclosed
US-6297235-B1 ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2001-10-02 US disclosed