SCHEMBL2454971

SCHEMBL2454971

CN(C(=O)O)[C@@H](CC(C)(C)C)C(=O)N(CC1CC1)C1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.53
GAA P10253 1/20 0.37
TRPV4 Q9HBA0 3/20 0.37
EPHX2 P34913 1/20 0.35
HSD11B1 P28845 1/20 0.34
TRPA1 O75762 1/20 0.33

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
SCHEMBL2844230 1.00 CACNA1B (0.53) CACNA1BGAATRPV4EPHX2HSD11B1
SCHEMBL66499 0.94 CACNA1B (0.49) CACNA1BGAATRPV4EPHX2HSD11B1
SCHEMBL2457600 0.92 CACNA1B (0.54) CACNA1BGAATRPV4HSD11B1
SCHEMBL2851897 0.92 CACNA1B (0.54) CACNA1BGAATRPV4HSD11B1
SCHEMBL66498 0.91 CACNA1B (0.50) CACNA1BGAATRPV4EPHX2HSD11B1
SCHEMBL2849997 0.90 CACNA1B (0.53) CACNA1BGAATRPV4HSD11B1
SCHEMBL2846870 0.89 CACNA1B (0.56) CACNA1BGAATRPV4HSD11B1
SCHEMBL66376 0.88 CACNA1B (0.64) CACNA1BGAATRPV4EPHX2HSD11B1
SCHEMBL67409 0.87 CACNA1B (0.67) CACNA1BGAATRPV4EPHX2
SCHEMBL66321 0.86 CACNA1B (0.50) CACNA1BGAATRPV4HSD11B1

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 5 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 claimed
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 WO claimed
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
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