Mibefradil

Mibefradil

SCHEMBL5500513

COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C.COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C.Cl.Cl.Cl.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1GCACNA1HCACNA1I

The experimentally established mechanism targets of Mibefradil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H known ✓ O95180 10/20 0.99
CACNA1G known ✓ O43497 1/20 0.99
CACNA1I known ✓ Q9P0X4 1/20 0.99
MAPT P10636 4/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
NPSR1 Q6W5P4 2/20 1.00
ABCB11 O95342 2/20 1.00
GMNN O75496 1/20 1.00
LMNA P02545 1/20 1.00
HTT P42858 1/20 1.00
PMP22 Q01453 1/20 1.00
KCNK9 Q9NPC2 1/20 1.00
CACNA1C Q13936 8/20 0.99
CYP3A4 P08684 7/20 0.99
CYP2D6 P10635 5/20 0.99
CACNA1B Q00975 3/20 0.99
KCNH2 Q12809 2/20 0.99
NPC1 O15118 1/20 0.99
CACNA1F O60840 1/20 0.99

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
Mibefradil SCHEMBL29412446 1.00 MAPT (1.00) MAPTMEN1KMT2ANPSR1ABCB11
Mibefradil SCHEMBL7400127 1.00 MAPT (1.00) MAPTMEN1KMT2ANPSR1ABCB11
Mibefradil SCHEMBL120810 1.00 MAPT (1.00) MAPTMEN1KMT2ANPSR1ABCB11
Mibefradil SCHEMBL908985 1.00 MAPT (1.00) MAPTMEN1KMT2ANPSR1ABCB11
Mibefradil SCHEMBL18210637 0.99 NPSR1 (1.00) MAPTMEN1KMT2ANPSR1ABCB11
Mibefradil SCHEMBL2230258 0.99 CACNA1H (1.00) MAPTMEN1KMT2ANPSR1ABCB11
Mibefradil SCHEMBL7708100 0.99 CACNA1H (1.00) MAPTMEN1KMT2ANPSR1ABCB11
Mibefradil SCHEMBL29359482 0.99 CACNA1H (1.00) MAPTMEN1KMT2ANPSR1ABCB11
Mibefradil SCHEMBL22968530 0.99 CACNA1H (1.00) MAPTMEN1KMT2ANPSR1ABCB11
Mibefradil SCHEMBL7265837 0.99 CACNA1H (1.00) MAPTMEN1KMT2ANPSR1ABCB11

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-1737539-A1 THERAPEUTIC COMBINATION FOR TREATMENT OF ALZHEIMERS DISEASE Warner-Lambert Company LLC (US) 2007-01-03 EP disclosed
WO-2005099823-A1 THERAPEUTIC COMBINATION FOR TREATMENT OF ALZHEIMERS DISEASE WARNER-LAMBERT COMPANY LLC (US) 2005-10-27 WO disclosed