SCHEMBL7003984

SCHEMBL7003984

CCc1noc(-c2nnc3cc(C(C)(C)C)c(OCc4ncn(C)n4)nn23)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.44
GABRG2 P18507 8/20 0.44
GABRB3 P28472 8/20 0.44
GABRA3 P34903 8/20 0.44
GABRA2 P47869 7/20 0.41
GABRA5 P31644 6/20 0.41

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
SCHEMBL7000097 0.85 GABRG2 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2657058 0.84 GABRG2 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7006121 0.83 GABRG2 (0.65) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2659091 0.83 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2655468 0.83 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7005029 0.81 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2657663 0.81 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7002125 0.81 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL341244 0.79 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2655052 0.78 GABRG2 (0.51) 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 2 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