SCHEMBL6509573

SCHEMBL6509573

O=C(Nc1ccc(N2CCN(C(=O)O)CC2)c(F)c1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.53
MAPT P10636 5/20 0.50
NPY2R P49146 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
ATM Q13315 1/20 0.50
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
MGLL Q99685 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TGM2 P21980 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL1498503 0.93 MAPT (0.53) GRM5MAPTNPY2RNPC1RAB9A
SCHEMBL1955176 0.90 MAPT (0.62) GRM5MAPTNPY2RNPC1RAB9A
SCHEMBL14898019 0.89 MAPT (0.54) GRM5MAPTNPC1RAB9AKMT2A
SCHEMBL6465956 0.88 NPY2R (0.54) MAPTNPY2RNPC1RAB9AKMT2A
SCHEMBL6510132 0.88 NPY2R (0.52) GRM5MAPTNPY2RNPC1RAB9A
SCHEMBL8306382 0.87 MAPT (0.50) GRM5MAPTNPY2RNPC1RAB9A
SCHEMBL30771563 0.87 NPC1 (0.61) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2152084 0.87 NPC1 (0.61) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL14861923 0.85 NPC1 (0.49) GRM5MAPTNPY2RNPC1RAB9A
SCHEMBL18396796 0.85 MAPT (0.48) GRM5MAPTNPY2RNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005051933-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF 4-(4-BENZYLOXY-CARBONYLAMINO-2-FLUOROPHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, A KEY INTERMEDIATE FOR OXAZOLIDINONE ANTIMICROBIALS AND COMPOUNDS PREPARED THEREBY RANBAXY LABORATORIES LIMITED (IN) 2005-06-09 WO claimed
WO-2005051933-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF 4-(4-BENZYLOXY-CARBONYLAMINO-2-FLUOROPHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, A KEY INTERMEDIATE FOR OXAZOLIDINONE ANTIMICROBIALS AND COMPOUNDS PREPARED THEREBY RANBAXY LABORATORIES LIMITED (IN) 2005-06-09 WO disclosed