SCHEMBL7392102

SCHEMBL7392102

COC(=O)CCc1ccc(-n2c(C)c(C)n(CCC3CCN(C(=O)OC(C)(C)C)CC3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.43
TP53 P04637 5/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7390536 0.89 KDM4E (0.43) GPR119TP53LMNAKDM4EPKM
SCHEMBL7385747 0.85 TP53 (0.41) GPR119TP53LMNAKDM4EPKM
SCHEMBL7360610 0.81 GPR119 (0.51) GPR119TP53LMNAALDH1A1
SCHEMBL7389941 0.81 S1PR1 (0.43) GPR119TP53LMNAKDM4EPKM
SCHEMBL7394493 0.81 TP53 (0.42) GPR119TP53LMNAKDM4EPKM
SCHEMBL7394243 0.80 GPR119 (0.41) GPR119TP53LMNAKDM4EPKM
SCHEMBL7393944 0.80 GPR119 (0.41) GPR119TP53LMNAKDM4EPKM
SCHEMBL7391404 0.80 GPR119 (0.41) GPR119TP53LMNAKDM4EPKM
SCHEMBL7484914 0.80 GPR119 (0.42) GPR119TP53LMNAKDM4EPKM
SCHEMBL7358096 0.79 HRH3 (0.41) GPR119TP53LMNAKDM4EPKM

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-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed