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SCHEMBL3246463

SCHEMBL3246463

CC(C)NC1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC12

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 14/20 0.66
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD11B1 P28845 1/20 0.44
▸ EPHX2 P34913 2/20 0.44

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
SCHEMBL66019 1.00 CACNA1B (0.66) CACNA1BALDH1A1GAAMEN1KMT2A
SCHEMBL2457872 1.00 CACNA1B (0.66) CACNA1BALDH1A1GAAMEN1KMT2A
SCHEMBL66307 0.88 CACNA1B (0.66) CACNA1BALDH1A1GAAMEN1KMT2A
SCHEMBL2423819 0.85 CACNA1B (0.68) CACNA1BGAAEPHX2
SCHEMBL66489 0.85 CACNA1B (0.64) CACNA1BALDH1A1GAAMEN1KMT2A
SCHEMBL2457839 0.84 CACNA1B (0.61) CACNA1BALDH1A1GAAMEN1KMT2A
SCHEMBL83745 0.84 CACNA1B (0.61) CACNA1BALDH1A1GAAMEN1KMT2A
SCHEMBL66757 0.83 CACNA1B (0.74) CACNA1BGAAEPHX2
SCHEMBL66557 0.83 CACNA1B (0.65) CACNA1BALDH1A1GAAMEN1KMT2A
SCHEMBL67623 0.82 CACNA1B (0.50) CACNA1BALDH1A1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 — — WO claimed