SCHEMBL29946017

SCHEMBL29946017

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPSR1 Q6W5P4 4/20 0.48
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CNR1 P21554 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
STS P08842 1/20 0.45
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
PRMT5 O14744 1/20 0.44
VEGFA P15692 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 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
SCHEMBL29946020 1.00 MEN1 (0.48) MEN1KMT2ANPSR1HPGDUSP2
SCHEMBL29945994 0.90 GPR119 (0.46) MEN1KMT2ANPSR1HPGDCNR1
SCHEMBL29945795 0.87 GPR119 (0.49) MEN1KMT2ANPSR1HPGDUSP2
SCHEMBL29945924 0.85 TRPV3 (0.44) MEN1KMT2ANPSR1HPGDUSP2
SCHEMBL18176190 0.80 MEN1 (0.57) MEN1KMT2ANPSR1HPGDUSP2
SCHEMBL29945870 0.79 SMN1; SMN2 (0.49) SMN1; SMN2LMNAGPR119TP53THRB
SCHEMBL25731609 0.76 GPR119 (0.50) GPR119THRBHTTKDM4E
SCHEMBL29946091 0.76 KDM4E (0.50) MEN1KMT2ANPSR1HPGDUSP2
SCHEMBL8024321 0.76 GPR119 (0.46) MEN1KMT2ANPSR1HPGDUSP2
SCHEMBL16827756 0.75 MEN1 (0.48) MEN1KMT2ANPSR1HPGDUSP2

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