SCHEMBL7005029

SCHEMBL7005029

CCOc1cc(-c2nnc3cc(C(C)(C)C)c(OCc4ncn(C)n4)nn23)no1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 15/20 0.42
GABRG2 P18507 15/20 0.42
GABRB3 P28472 15/20 0.42
GABRA3 P34903 15/20 0.42
GABRA5 P31644 14/20 0.40
GABRA2 P47869 14/20 0.40
GABRA4 P48169 2/20 0.35
GABRA6 Q16445 1/20 0.32

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
SCHEMBL2655468 0.89 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657663 0.87 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6998656 0.85 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7002729 0.85 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657870 0.83 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7002125 0.83 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7002145 0.83 GABRG2 (0.64) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657864 0.82 GABRG2 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7006237 0.82 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7003984 0.81 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA5

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