SCHEMBL29945795

SCHEMBL29945795

CC(C)(C)OC(=O)N1CCC(c2ccn(OCc3ccc(C#N)cc3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.49
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
PTK2 Q05397 1/20 0.46
EGLN2 Q96KS0 1/20 0.45
PRMT5 O14744 2/20 0.44
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL29946017 0.87 MEN1 (0.48) GPR119PRMT5KDM4EALDH1A1HPGD
SCHEMBL29946020 0.87 MEN1 (0.48) GPR119PRMT5KDM4EALDH1A1HPGD
SCHEMBL29945994 0.87 GPR119 (0.46) GPR119JAK2JAK3PTK2PRMT5
SCHEMBL29945852 0.86 GPR119 (0.53) GPR119JAK2JAK3PTK2EGLN2
SCHEMBL13153867 0.78 GPR119 (0.64) GPR119
SCHEMBL29946087 0.77 CYP19A1 (0.39) JAK2JAK3PTK2PRMT5USP2
SCHEMBL20266517 0.77 GPR119 (0.53) GPR119PRMT5
SCHEMBL29945870 0.77 SMN1; SMN2 (0.49) GPR119MAPT
SCHEMBL6132557 0.76 GPR119 (0.64) GPR119JAK2JAK3PTK2EGLN2
SCHEMBL29945962 0.76 GPR119 (0.53) GPR119JAK2JAK3PTK2EGLN2

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-2022184849-A1 GLP-1R AGONISTS, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF LES LABORATOIRES SERVIER (FR) 2022-09-09 WO disclosed