SCHEMBL2339105

SCHEMBL2339105

CCC[C@H](N)c1ccccc1N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.46
▸ KCNQ2 O43526 5/20 0.43
▸ GAA P10253 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MC4R P32245 5/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NCF1 P14598 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KCNQ3 O43525 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KCNE1 P15382 1/20 0.36
▸ KCNQ1 P51787 1/20 0.36
▸ KCNQ4 P56696 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL5792889 1.00 KEAP1 (0.46) KEAP1KCNQ2GAAMAPK1NPC1
SCHEMBL7897470 1.00 KEAP1 (0.46) KEAP1KCNQ2GAAMAPK1NPC1
Hydrochloric Acid SCHEMBL10638555 0.98 KEAP1 (0.45) KEAP1KCNQ2GAAMAPK1NPC1
SCHEMBL7896588 0.98 KCNQ2 (0.44) KEAP1KCNQ2GAAMAPK1NPC1
SCHEMBL5792763 0.91 KEAP1 (0.44) KEAP1KCNQ2GAAMAPK1NPC1
Hydrochloric Acid SCHEMBL17871814 0.90 KEAP1 (0.42) KEAP1KCNQ2GAAMAPK1NPC1
SCHEMBL7900199 0.90 KEAP1 (0.42) KEAP1KCNQ2GAAMAPK1NPC1
SCHEMBL5794047 0.88 LMNA (0.42) KEAP1KCNQ2GAAMAPK1NPC1
SCHEMBL19665213 0.86 KEAP1 (0.45) KEAP1KCNQ2GAAMAPK1NPC1
Hydrochloric Acid SCHEMBL17872072 0.85 KEAP1 (0.44) KEAP1KCNQ2GAAMAPK1NPC1

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-2358369-A1 Process for the preparation of substantially optically pure repaglinide and precursors thereof Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2011-08-24 — — EP disclosed
WO-2010046360-A1 PROCESS FOR THE PREPARATION OF SUBSTANTIALLY OPTICALLY PURE REPAGLINIDE AND PRECURSORS THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2010-04-29 — — WO disclosed
EP-2177221-A1 Process for the preparation of substantially optically pure Repaglinide and precursors thereof Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2010-04-21 — — EP disclosed
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