SCHEMBL14723294

SCHEMBL14723294

COC(C)(C)c1nc(N2CCC(N(C(=O)O)C3CC3)CC2)no1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
HDAC4 P56524 1/20 0.31
POLB P06746 1/20 0.31
S1PR1 P21453 1/20 0.31
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNQ4 P56696 1/20 0.30
KCNQ5 Q9NR82 1/20 0.30
SLC6A9 P48067 1/20 0.30

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
SCHEMBL14723557 0.88 GPR119 (0.39) GPR119
SCHEMBL14723459 0.70 ALOX5AP (0.37) GPR119
SCHEMBL14723457 0.64 KDM1A (0.39) GPR119
Hydrochloric Acid SCHEMBL14723400 0.64 KDM4E (0.41) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL2565338 0.60 CYP11B2 (0.43)
SCHEMBL388598 0.60 HDAC4 (0.48) GPR119HDAC4USP2
SCHEMBL14723590 0.60 GPR119 (0.40) GPR119
SCHEMBL14723346 0.58 GPR119 (0.39) GPR119
SCHEMBL23003574 0.58 CNR2 (0.33) GPR119HCRTR1HCRTR2HDAC4
SCHEMBL9900439 0.57 HSD17B10 (0.41) POLBKDM4EUSP2HPGDNPSR1

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-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed