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Emakalim

Emakalim

SCHEMBL5047102

CC1(C)C=C(n2ccccc2=O)c2cc(C#N)ccc2O1.CC1(C)Oc2ccc(C#N)cc2[C@@H](n2ccccc2=O)[C@@H]1O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 14/20 0.51
▸ ABCC8 Q09428 2/20 0.49
▸ KCNJ11 Q14654 2/20 0.49
▸ KCNJ8 Q15842 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ABCB1 P08183 5/20 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
Emakalim SCHEMBL4258884 0.87 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Emakalim SCHEMBL7273953 0.87 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Emakalim SCHEMBL6375795 0.87 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Emakalim SCHEMBL231719 0.87 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Emakalim SCHEMBL9142302 0.87 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
Bimakalim SCHEMBL231904 0.85 PDE4A (0.43) ABCC9ABCC8KCNJ11KCNJ8ABCB1
SCHEMBL8084996 0.79 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8088443 0.77 MAOB (0.38) ABCC9ABCC8KCNJ11KCNJ8ABCB1
SCHEMBL7267817 0.75 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7274507 0.75 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663239-A4 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS SINAI MEDICAL CENTER (US) 2008-07-23 — — EP disclosed
EP-1663239-A2 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS-SINAI MEDICAL CENTER (US) 2006-06-07 — — EP disclosed
WO-2005025511-A2 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS-SINAI MEDICAL CENTER (US) 2005-03-24 — — WO disclosed