SCHEMBL13613598

SCHEMBL13613598

CCS(=O)(=O)c1ccc(N)cc1[C@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
TSHR P16473 5/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
HCRTR2 O43614 1/20 0.38
RIPK1 Q13546 1/20 0.38

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
SCHEMBL13613594 1.00 NR1H2 (0.43) NR1H2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL13613597 1.00 NR1H2 (0.43) NR1H2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2911226 0.86 RIPK1 (0.38) LMNATSHRNPC1RIPK1
SCHEMBL2910772 0.86 MEN1 (0.43) NR1H2ALDH1A1MEN1KMT2ALMNA
SCHEMBL2910770 0.86 MEN1 (0.43) NR1H2ALDH1A1MEN1KMT2ALMNA
SCHEMBL2914617 0.86 MEN1 (0.43) NR1H2ALDH1A1MEN1KMT2ALMNA
SCHEMBL25594973 0.81 LMNA (0.48) NR1H2ALDH1A1LMNANPSR1MAPT
SCHEMBL13628052 0.80 NR1H2 (0.45) NR1H2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2695856 0.80 NR1H2 (0.46) NR1H2ALDH1A1MEN1KMT2ALMNA
SCHEMBL1922847 0.80 NR1H2 (0.46) NR1H2ALDH1A1MEN1KMT2ALMNA

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
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed