SCHEMBL29945937

SCHEMBL29945937

CC1CC(c2ccn(OCc3ccc(F)cc3F)n2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
NTRK1 P04629 3/20 0.36
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
DPP4 P27487 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
KCNK3 O14649 1/20 0.34
HTR2A P28223 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL29945870 0.87 SMN1; SMN2 (0.49) SMN1; SMN2GPR119DPP4TP53MAPT
SCHEMBL29945924 0.78 TRPV3 (0.44) SMN1; SMN2DPP4TP53MAPTLMNA
SCHEMBL29945852 0.76 GPR119 (0.53) SMN1; SMN2GPR119DPP4MAPT
SCHEMBL29945984 0.75 GPR119 (0.41) GPR119MAPTLMNA
SCHEMBL29945981 0.75 HTR6 (0.41) HTR2A
SCHEMBL29945994 0.74 GPR119 (0.46) SMN1; SMN2GPR119TP53LMNA
SCHEMBL29946162 0.71 HTR6 (0.49) HTR2A
SCHEMBL30568252 0.71 GLP1R (0.51)
SCHEMBL7090614 0.68 DRD2 (0.49) HTR2A
SCHEMBL6491645 0.68 DRD2 (0.49) HTR2A

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