SCHEMBL28544245

SCHEMBL28544245

CC(C)(C)OC(=O)N1CCC(c2nccnc2Cl)CC1c1nccnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
GPR119 Q8TDV5 4/20 0.38
NPC1 O15118 1/20 0.36
GRM5 P41594 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL27934481 0.89 POLB (0.45) POLBALDH1A1TSHRLMNAGPR119
SCHEMBL2595703 0.82 POLB (0.54) POLBGPR119KDM4EMAPTTHRB
SCHEMBL1303092 0.76 POLB (0.50) POLBGPR119KDM4EMEN1KMT2A
SCHEMBL28341942 0.74 HTR2B (0.40) POLBALDH1A1GPR119KDM4EMAPT
SCHEMBL29008821 0.73 MEN1 (0.42) ALDH1A1TSHRLMNAGRM5MAPT
SCHEMBL27934478 0.73 SSTR4 (0.37) POLBGPR119
SCHEMBL27703983 0.70 TSHR (0.40) POLBALDH1A1TSHRLMNAGRM5
SCHEMBL28547371 0.70 GPR119 (0.41) POLBTSHRLMNAGPR119KDM4E
SCHEMBL31556666 0.68 POLB (0.41) POLBALDH1A1TSHRLMNAGPR119
SCHEMBL30639338 0.68 GPR119 (0.44) POLBALDH1A1LMNAGPR119GRM5

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-112566637-A GLP-1 receptor agonists and uses thereof 辉瑞公司 2021-03-26 CN disclosed