SCHEMBL28814072

SCHEMBL28814072

CC(C)(C)OC(=O)N1CCCCC1c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.55
WDR77 Q9BQA1 1/20 0.55
HSD11B1 P28845 1/20 0.51
GPR119 Q8TDV5 2/20 0.50
GPBAR1 Q8TDU6 1/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RIPK1 Q13546 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 2/20 0.44
CPT1A P50416 1/20 0.44
KDM4E B2RXH2 1/20 0.43
USP30 Q70CQ3 1/20 0.43
GRM5 P41594 2/20 0.42

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
SCHEMBL29491244 1.00 PRMT5 (0.55) PRMT5WDR77HSD11B1GPR119GPBAR1
SCHEMBL29785710 0.96 HSD11B1 (0.54) PRMT5WDR77HSD11B1GPR119TSHR
SCHEMBL22039535 0.96 HSD11B1 (0.54) PRMT5WDR77HSD11B1GPR119TSHR
SCHEMBL29785757 0.92 GPR119 (0.52) PRMT5WDR77HSD11B1GPR119TSHR
SCHEMBL29549924 0.92 GPR119 (0.52) PRMT5WDR77HSD11B1GPR119TSHR
SCHEMBL5229321 0.85 GPR119 (0.43) PRMT5WDR77HSD11B1GPR119TSHR
SCHEMBL29785769 0.84 GPR119 (0.47) PRMT5WDR77HSD11B1GPR119TSHR
SCHEMBL28443871 0.84 GPR119 (0.49) GPR119TSHRALDH1A1LMNAMEN1
SCHEMBL31590042 0.84 ALDH1A1 (0.44) PRMT5WDR77GPR119TSHRALDH1A1
SCHEMBL9025671 0.83 GPR119 (0.48) PRMT5WDR77HSD11B1GPR119TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 CN disclosed
CN-110023290-B Heteroaryl carboxamide compounds as RIPK2 inhibitors 勃林格殷格翰国际有限公司 2022-08-12 CN disclosed
CN-108137510-B Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2021-07-20 CN disclosed