SCHEMBL28304115

SCHEMBL28304115

CCCC(NC)c1ccccc1N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 5/20 0.44
▸ GAA P10253 3/20 0.41
▸ ABCC8 Q09428 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ ABCC3 O15438 1/20 0.40
▸ ABCC4 O15439 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ NR1I3 Q14994 1/20 0.40
▸ ABCC2 Q92887 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40

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
SCHEMBL28277951 0.86 SMN1; SMN2 (0.43) KCNQ2GAALMNACYP3A4ALDH1A1
SCHEMBL3729747 0.80 KCNQ2 (0.44) KCNQ2GAAABCC8MAPK1LMNA
SCHEMBL7889064 0.80 KCNQ2 (0.47) KCNQ2GAAMAPK1LMNACYP3A4
SCHEMBL28309576 0.80 MEN1 (0.45) KCNQ2GAAABCC8MAPK1LMNA
SCHEMBL4956719 0.80 KCNQ2 (0.44) KCNQ2GAAABCC8MAPK1LMNA
SCHEMBL3633209 0.79 MEN1 (0.43) KCNQ2GAAABCC8MAPK1LMNA
SCHEMBL5792889 0.79 KEAP1 (0.46) KCNQ2GAAMAPK1LMNACYP3A4
SCHEMBL2339105 0.79 KEAP1 (0.46) KCNQ2GAAMAPK1LMNACYP3A4
SCHEMBL22276693 0.79 KCNQ2 (0.43) KCNQ2GAAMAPK1LMNACYP3A4
SCHEMBL7897470 0.79 KEAP1 (0.46) KCNQ2GAAMAPK1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970681-A A kind of synthetic method of Repaglinide 安徽海康药业有限责任公司 2019-07-05 — — CN disclosed
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