SCHEMBL27844652

SCHEMBL27844652

CC(C)N[C@H]([C]=O)CC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7678897 0.70 TDP1 (0.32) TDP1
SCHEMBL27861986 0.70 EPHX1 (0.33)
SCHEMBL4046388 0.70 KDM4E (0.32)
SCHEMBL13622561 0.69 TDP1 (0.41) TDP1
SCHEMBL1016198 0.69
SCHEMBL6141270 0.67
SCHEMBL27861925 0.66 SIGMAR1 (0.46)
SCHEMBL9728088 0.65
SCHEMBL5045442 0.65 CA1 (0.45)
SCHEMBL1308490 0.64 GSR (0.32)

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
CN-102292319-A Novel substituted octahydrocyclopenta(C)pyrrol-4-amines as calcium channel blockers 2011-12-21 CN claimed
CN-102292319-A Novel substituted octahydrocyclopenta(C)pyrrol-4-amines as calcium channel blockers 2011-12-21 CN disclosed