SCHEMBL2425332

SCHEMBL2425332

CC(C[C@H](C)C(=O)N[C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)C[C@H]21)N(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 17/20 0.56
RORC P51449 3/20 0.38

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
SCHEMBL2845421 0.90 CACNA1B (0.65) CACNA1B
SCHEMBL3247843 0.87 CACNA1B (0.55) CACNA1B
SCHEMBL66508 0.86 CACNA1B (0.56) CACNA1BRORC
SCHEMBL66507 0.86 CACNA1B (0.56) CACNA1BRORC
SCHEMBL65749 0.83 CACNA1B (0.77) CACNA1B
SCHEMBL66506 0.82 CACNA1B (0.61) CACNA1BRORC
SCHEMBL66834 0.80 CACNA1B (0.62) CACNA1B
SCHEMBL66835 0.80 CACNA1B (0.62) CACNA1B
SCHEMBL16497997 0.80 CACNA1B (0.48) CACNA1BRORC
SCHEMBL2418250 0.79 CACNA1B (0.51) CACNA1B

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
EP-2367790-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-09-28 EP disclosed
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 WO disclosed