SCHEMBL20708147

SCHEMBL20708147

Cc1cc(F)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.53
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP2C19 P33261 1/20 0.48
PDK2 Q15119 1/20 0.47
TSHR P16473 1/20 0.45
NAMPT P43490 1/20 0.45
EGLN2 Q96KS0 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL4941538 0.92 MAPT (0.56) GPR119MAPTLMNAALDH1A1MEN1
Piperazine SCHEMBL27197226 0.85 MAPT (0.50) GPR119MAPTLMNAALDH1A1MEN1
SCHEMBL31036793 0.85 MAPT (0.50) GPR119MAPTLMNAALDH1A1MEN1
SCHEMBL3753571 0.85 MAPT (0.50) GPR119MAPTLMNAALDH1A1MEN1
SCHEMBL23228913 0.84 GPR119 (0.51) GPR119MAPTLMNAALDH1A1MEN1
SCHEMBL19404228 0.84 TTR (0.51) GPR119MAPTLMNAALDH1A1MEN1
SCHEMBL13550026 0.84 GPR119 (0.53) GPR119MAPTLMNAALDH1A1MEN1
SCHEMBL19404281 0.83 GPR119 (0.52) GPR119MAPTLMNAALDH1A1MEN1
SCHEMBL30976319 0.82 EGLN2 (0.53) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL19404303 0.82 MAPT (0.47) GPR119MAPTLMNAALDH1A1MEN1

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-3237406-B1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-02-06 EP disclosed