SCHEMBL2934489

SCHEMBL2934489

CC(C)(C)OC(=O)N1CC[C@@H](C=O)C1.c1cc2cc(c1)C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.46
USP30 Q70CQ3 5/20 0.43
STS P08842 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
PDE4B Q07343 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 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
SCHEMBL35457 0.85 HPGD (0.49) GPR119KDM4EMAPTTHRBPTPN2
SCHEMBL35456 0.85 HPGD (0.49) GPR119KDM4EMAPTTHRBPTPN2
SCHEMBL935410 0.85 HPGD (0.49) GPR119KDM4EMAPTTHRBPTPN2
SCHEMBL27608489 0.81 GPR119 (0.54) GPR119STSKDM4EMAPTTHRB
SCHEMBL641613 0.77 MEN1 (0.52) USP30MAPT
SCHEMBL192730 0.77 MEN1 (0.52) USP30MAPT
SCHEMBL1992277 0.77 MEN1 (0.52) USP30MAPT
SCHEMBL6497026 0.77 USP30 (0.52) GPR119USP30MAPT
SCHEMBL227336 0.77 HPGD (0.55) GPR119KDM4EMAPTTHRBPTPN2
SCHEMBL16039992 0.76 HPGD (0.52) USP30PDE4BMAPT

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
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed