SCHEMBL13993293

SCHEMBL13993293

CCOc1ccc(-n2c(C)c3c(C)nnc(NCCCc4ccccn4)c3c2C)cc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 20/20 0.73

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
SCHEMBL5009952 0.88 CACNA2D1 (0.76) CACNA2D1
SCHEMBL5004705 0.87 CACNA2D1 (0.77) CACNA2D1
SCHEMBL5005683 0.85 CACNA2D1 (1.00) CACNA2D1
SCHEMBL5001479 0.84 CACNA2D1 (0.76) CACNA2D1
SCHEMBL5004900 0.83 CACNA2D1 (0.79) CACNA2D1
SCHEMBL5007944 0.83 CACNA2D1 (0.73) CACNA2D1
SCHEMBL5005177 0.80 CACNA2D1 (0.78) CACNA2D1
SCHEMBL5005399 0.79 CACNA2D1 (0.78) CACNA2D1
SCHEMBL5004720 0.79 CACNA2D1 (0.70) CACNA2D1
SCHEMBL5009750 0.79 CACNA2D1 (0.53) CACNA2D1

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
US-7465730-B2 Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds MERCK & CO. INC. (US) 2008-12-16 US disclosed
US-7465730-B2 Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds MERCK & CO. INC. (US) 2008-12-16 US disclosed