SCHEMBL20746151

SCHEMBL20746151

C[C@H](NC(=O)O)c1ccccc1N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
AKR1C3 P42330 1/20 0.50
KCNQ2 O43526 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL1460357 0.77 L3MBTL1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1AKR1C3
SCHEMBL17844326 0.77 L3MBTL1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1AKR1C3
SCHEMBL29809671 0.77 L3MBTL1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1AKR1C3
SCHEMBL4547926 0.77 L3MBTL1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1AKR1C3
SCHEMBL6080968 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL4715545 0.75 ALDH1A1 (0.54) ALDH1A1KMT2APKMLMNA
SCHEMBL21202392 0.74 L3MBTL1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1AKR1C3
SCHEMBL5337121 0.74 L3MBTL1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1AKR1C3
SCHEMBL27536638 0.74 L3MBTL1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1AKR1C3
SCHEMBL515194 0.72 L3MBTL1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1AKR1C3

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
WO-2019036024-A1 2-(1,1 '-BIPHENYL)-1 H-BENZO[D]IMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-21 WO disclosed