SCHEMBL8305942

SCHEMBL8305942

COc1cc(NC(=O)O)c(Cl)cc1-c1nn(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)o1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
GPR55 Q9Y2T6 5/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR35 Q9HC97 1/20 0.40
NR3C1 P04150 4/20 0.40
SUV39H2 Q9H5I1 8/20 0.39
CNR1 P21554 2/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
MAPT P10636 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL8307501 0.87 GPR55 (0.39) GPR55KMT2ACNR1CNR2
SCHEMBL8308257 0.81 NR3C1 (0.39) TP53GPR55NR3C1CNR1NPBWR1
SCHEMBL7799610 0.81 HTR4 (0.38) GPR55MEN1ALDH1A1KMT2A
SCHEMBL8517107 0.81 TP53 (0.41) TP53GPR55SUV39H2CNR1
SCHEMBL7799616 0.80 HTR4 (0.36) GPR55MEN1ALDH1A1MAPK1KMT2A
SCHEMBL6967209 0.79 DRD4 (0.37) MEN1ALDH1A1KMT2A
SCHEMBL7749150 0.77 MDM2 (0.37) TP53GPR55NR3C1CNR1MAPT
SCHEMBL6962731 0.77 MDM2 (0.37) TP53GPR55NR3C1CNR1MAPT
SCHEMBL8303784 0.72 NR3C1 (0.39) TP53GPR55NR3C1CNR1
SCHEMBL8368044 0.70 KEAP1 (0.40) TP53GPR55CNR1

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-0863897-B1 5-PHENYL-3-(PIPERIDIN-4-YL)-1,3,4-OXADIAZOL-2(3H)-ONE DERIVATIVES FOR USE AS 5-HT4- OR H3-RECEPTOR LIGANDS SYNTHELABO (FR) 1999-06-16 EP disclosed