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Sugi Predict / Compounds / SCHEMBL2422009

SCHEMBL2422009

SCHEMBL2422009

O=C(O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 15/20 0.72
▸ CNR1 P21554 1/20 0.49
▸ KCNH2 Q12809 2/20 0.48
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47

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
SCHEMBL66517 0.86 CACNA1B (0.63) CACNA1BCNR1KCNH2LMNA
SCHEMBL67124 0.86 CACNA1B (0.63) CACNA1BCNR1KCNH2LMNA
SCHEMBL66419 0.86 CACNA1B (0.68) CACNA1B
SCHEMBL66514 0.86 CACNA1B (0.62) CACNA1BCNR1KCNH2LMNA
SCHEMBL68606 0.86 CACNA1B (0.62) CACNA1BCNR1KCNH2LMNA
SCHEMBL16497776 0.86 CACNA1B (0.62) CACNA1BCNR1KCNH2LMNA
SCHEMBL66958 0.85 CACNA1B (0.72) CACNA1BCNR1KCNH2
SCHEMBL2844971 0.85 CACNA1B (0.68) CACNA1BKCNH2
SCHEMBL2849860 0.85 CACNA1B (0.68) CACNA1BKCNH2
SCHEMBL16497986 0.84 CACNA1B (0.61) CACNA1BCNR1LMNA

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