SCHEMBL4719103

SCHEMBL4719103

O=C(c1cccnc1F)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.55
MAPT P10636 5/20 0.55
HTT P42858 3/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 3/20 0.54
USP2 O75604 2/20 0.54
ALOX15 P16050 1/20 0.54
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.50
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL8250360 0.88 MAPK1 (0.47) MAPTALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL4722869 0.86 AKR1C3 (0.58) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL4718989 0.86 ALDH1A1 (0.53) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL8247070 0.84 SMN1; SMN2 (0.72) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL8240451 0.81 ALDH1A1 (0.60) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL4766135 0.81 USP2 (0.57) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL4722493 0.80 SMN1; SMN2 (0.54) HTTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL8246614 0.79 ALDH1A1 (0.62) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL4722342 0.79 MEN1 (0.71) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL7952417 0.79 MAPT (0.53) MAPTHTTALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907363-A1 PHENYL SUBSTITUTED PIPERAZINE-DERIVATIVES AS INHIBITORS OF PLAMINOGENIC ACTIVATOR INHIBITORS-I (PAI-I) Bayer HealthCare AG (DE) 2008-04-09 EP disclosed
WO-2007009635-A1 PHENYL SUBSTITUTED PIPERAZINE-DERIVATIVES AS INHIBITORS OF PLAMINOGENIC ACTIVATOR INHIBITORS-I (PAI-I) BAYER HEALTHCARE AG (DE) 2007-01-25 WO disclosed
WO-2007009635-A1 PHENYL SUBSTITUTED PIPERAZINE-DERIVATIVES AS INHIBITORS OF PLAMINOGENIC ACTIVATOR INHIBITORS-I (PAI-I) BAYER HEALTHCARE AG (DE) 2007-01-25 WO disclosed