SCHEMBL3633209

SCHEMBL3633209

CCCC(NC)c1ccccc1N1CCCCC1.Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP2C19 P33261 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ABCC8 Q09428 2/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ ABCC3 O15438 1/20 0.39
▸ ABCC4 O15439 1/20 0.39
▸ NR1I2 O75469 1/20 0.39

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
SCHEMBL3014389 0.80 MC4R (0.45) MEN1KMT2ACYP2C19PKMAPEX1
SCHEMBL28304115 0.79 KCNQ2 (0.44) MEN1KMT2ACYP2C19POLBGAA
SCHEMBL3636883 0.77 MEN1 (0.51) MEN1KMT2ACYP2C19PKMAPEX1
SCHEMBL10635605 0.73 ABCC8 (0.55) MEN1KMT2APKMPOLBGAA
SCHEMBL3408856 0.73 MC4R (0.48) MEN1KMT2AGAACYP2D6KCNQ2
SCHEMBL2344486 0.73 MC4R (0.48) MEN1KMT2AGAACYP2D6KCNQ2
Pyrovalerone SCHEMBL4937421 0.73 SLC6A3 (0.70) SLC6A3SLC6A4SLC6A2
Pyrovalerone SCHEMBL4937392 0.73 SLC6A3 (0.70) SLC6A3SLC6A4SLC6A2
SCHEMBL10671931 0.73 ABCC8 (0.57) KMT2ACYP2C19PKMPOLBGAA
SCHEMBL10680796 0.72 ABCC8 (0.55) KMT2ACYP2C19PKMPOLBGAA

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-2155706-A2 REPAGLINIDE SUBSTANTIALLY FREE OF DIMER IMPURITY Actavis Group PTC EHF (IS) 2010-02-24 — — EP disclosed
WO-2009004485-A2 REPAGLINIDE SUBSTANTIALLY FREE OF DIMER IMPURITY ACTAVIS GROUP PTC EHF (IS) 2009-01-08 — — WO disclosed
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