SCHEMBL1702810

SCHEMBL1702810

CCC[C@@](N)(C(=O)O)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 5/20 0.45
▸ KCNE1 P15382 1/20 0.41
▸ KCNQ1 P51787 1/20 0.41
▸ CYP1A2 P05177 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL18113458 0.79 KCNN4 (0.46) KCNN4KCNE1KCNQ1HIF1AKIF11
SCHEMBL1478852 0.78 CYP1A2 (0.51) CYP1A2MEN1KMT2ASMN1; SMN2HIF1A
SCHEMBL935388 0.74 KCNN4 (0.51) KCNN4KCNE1KCNQ1CYP1A2KMT2A
SCHEMBL15535815 0.74 KCNN4 (0.51) KCNN4KCNE1KCNQ1CYP1A2KMT2A
SCHEMBL714233 0.74 KCNN4 (0.51) KCNN4KCNE1KCNQ1CYP1A2KMT2A
SCHEMBL1843171 0.74 EPHX2 (0.40) CYP1A2SMN1; SMN2CYP2C19GAAALDH1A1
SCHEMBL27335767 0.73 KCNN4 (0.40) KCNN4KCNE1KCNQ1HIF1ACYP2C19
SCHEMBL27448763 0.73 KCNN4 (0.44) KCNN4KCNE1KCNQ1KMT2AHIF1A
SCHEMBL27901491 0.73 KCNN4 (0.44) KCNN4KCNE1KCNQ1CYP1A2MEN1
SCHEMBL11112539 0.73 KCNN4 (0.41) KCNN4KCNE1KCNQ1MEN1KMT2A

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
EP-2231701-B1 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP-1 AGONISTIC ACTIVITIES CADILA HEALTHCARE LTD (IN) 2012-04-18 — — EP disclosed
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