SCHEMBL3264189

SCHEMBL3264189

CC(C)(C)C1CCC(C(=O)NC2CCC3CN(S(=O)(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)N1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 16/20 0.63
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL2422009 0.84 CACNA1B (0.72) CACNA1BCNR1
SCHEMBL67124 0.83 CACNA1B (0.63) CACNA1BCNR1
SCHEMBL66517 0.83 CACNA1B (0.63) CACNA1BCNR1
SCHEMBL68606 0.82 CACNA1B (0.62) CACNA1BCNR1
SCHEMBL16497776 0.82 CACNA1B (0.62) CACNA1BCNR1
SCHEMBL66514 0.82 CACNA1B (0.62) CACNA1BCNR1
SCHEMBL66419 0.81 CACNA1B (0.68) CACNA1B
SCHEMBL3267664 0.80 CACNA1B (0.62) CACNA1BL3MBTL1CNR1
SCHEMBL66959 0.80 CACNA1B (0.62) CACNA1B
SCHEMBL65603 0.79 CACNA1B (0.78) 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 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