SCHEMBL5004666

SCHEMBL5004666

CCOc1ccc(-n2c(C)c3c(C)nnc(N4C[C@@H]5CCc6ccccc6[C@@H]5C4)c3c2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 20/20 1.00

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
SCHEMBL5051950 0.86 CACNA2D1 (0.75) CACNA2D1
SCHEMBL5001447 0.78 CACNA2D1 (0.70) CACNA2D1
SCHEMBL5001151 0.78 CACNA2D1 (1.00) CACNA2D1
SCHEMBL5005044 0.77 CACNA2D1 (1.00) CACNA2D1
SCHEMBL5009886 0.77 CACNA2D1 (0.78) CACNA2D1
SCHEMBL5009675 0.76 CACNA2D1 (1.00) CACNA2D1
SCHEMBL5005036 0.76 CACNA2D1 (0.80) CACNA2D1
SCHEMBL5004898 0.75 CACNA2D1 (1.00) CACNA2D1
SCHEMBL5004596 0.75 CACNA2D1 (1.00) CACNA2D1
SCHEMBL5009679 0.74 CACNA2D1 (1.00) 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 3 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
US-7465730-B2 Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds MERCK & CO. INC. (US) 2008-12-16 US disclosed