SCHEMBL28294749

SCHEMBL28294749

CC(C)(C)OC(=O)[C@H](Cc1ccc(-c2ncccn2)cc1)NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.50
▸ TDP1 Q9NUW8 5/20 0.50
▸ POLB P06746 3/20 0.50
▸ ROCK2 O75116 2/20 0.49
▸ NPSR1 Q6W5P4 4/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HCRTR1 O43613 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
SCHEMBL28294750 1.00 MAPT (0.50) MAPTTDP1POLBROCK2NPSR1
SCHEMBL16295279 0.89 ROCK2 (0.49) MAPTTDP1POLBROCK2NPSR1
SCHEMBL16295278 0.89 ROCK2 (0.49) MAPTTDP1POLBROCK2NPSR1
SCHEMBL15037039 0.89 MAPT (0.46) MAPTTDP1POLBROCK2NPSR1
SCHEMBL16342898 0.89 MAPT (0.46) MAPTTDP1POLBROCK2NPSR1
SCHEMBL22384169 0.88 MAPT (0.45) MAPTTDP1POLBROCK2NPSR1
SCHEMBL22384184 0.86 ROCK2 (0.45) MAPTTDP1POLBROCK2NPSR1
SCHEMBL15037131 0.86 EPHX2 (0.44) MAPTTDP1POLBROCK2MEN1
SCHEMBL22384157 0.86 EPHX2 (0.44) MAPTTDP1POLBROCK2MEN1
SCHEMBL15037142 0.86 ROCK2 (0.45) MAPTTDP1POLBROCK2NPSR1

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
CN-109867630-A - 1 receptor modulators of novel glp-1 赛尔基因第二国际有限公司 2019-06-11 — — CN disclosed
CN-105593225-B novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2019-04-16 — — CN disclosed
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