SCHEMBL7003556

SCHEMBL7003556

CCOc1cc(-c2nnc3cc(C(C)(C)C)c(OCc4nccn4Cc4ccccc4)nn23)no1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 17/20 0.47
GABRG2 P18507 17/20 0.47
GABRB3 P28472 17/20 0.47
GABRA3 P34903 17/20 0.47
GABRA2 P47869 16/20 0.44
GABRA5 P31644 13/20 0.44
GABRA4 P48169 2/20 0.35
GABRA6 Q16445 1/20 0.35
CACNA2D1 P54289 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL2657628 0.90 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7003230 0.90 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2655709 0.86 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2658324 0.85 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2658323 0.85 GABRG2 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7003553 0.84 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2658850 0.83 GABRG2 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7002145 0.79 GABRG2 (0.64) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2657208 0.79 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2659088 0.77 GABRA1 (0.45) 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