SCHEMBL3267664

SCHEMBL3267664

CC(C)(C)N1CCC[C@H]1C(=O)NC1CCC2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.62
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.46
CNR1 P21554 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 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
SCHEMBL16497986 0.87 CACNA1B (0.61) CACNA1BPOLBCNR1LMNASMN1; SMN2
SCHEMBL16497704 0.87 CACNA1B (0.61) CACNA1BPOLBCNR1LMNASMN1; SMN2
SCHEMBL16497855 0.87 CACNA1B (0.61) CACNA1BPOLBCNR1LMNASMN1; SMN2
SCHEMBL65629 0.86 CACNA1B (0.58) CACNA1BPOLBKMT2ALMNASMN1; SMN2
SCHEMBL66782 0.86 CACNA1B (0.58) CACNA1BPOLBKMT2ALMNASMN1; SMN2
SCHEMBL65628 0.86 CACNA1B (0.58) CACNA1BPOLBKMT2ALMNASMN1; SMN2
SCHEMBL66781 0.86 CACNA1B (0.58) CACNA1BPOLBKMT2ALMNASMN1; SMN2
SCHEMBL2422335 0.85 CACNA1B (0.60) CACNA1BPOLBCNR1LMNASMN1; SMN2
SCHEMBL2844339 0.85 CACNA1B (0.60) CACNA1BPOLBCNR1LMNASMN1; SMN2
SCHEMBL66012 0.84 CACNA1B (0.57) CACNA1BPOLBKMT2ACNR1LMNA

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 disclosed