SCHEMBL4722909

SCHEMBL4722909

COc1ccc(N2CCN(C(=O)c3cccnc3F)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 1/20 0.55
GFER P55789 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KMT2A Q03164 2/20 0.54
RAB9A P51151 1/20 0.54
TP53 P04637 1/20 0.54
THRB P10828 1/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 1/20 0.54

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
SCHEMBL8246614 0.88 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2HTTTDP1
SCHEMBL4766135 0.86 USP2 (0.57) ALDH1A1MAPTSMN1; SMN2HTTKDM4E
SCHEMBL8247070 0.86 SMN1; SMN2 (0.72) GAAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4722869 0.84 AKR1C3 (0.58) ALDH1A1MAPTSMN1; SMN2HTTKDM4E
SCHEMBL4722493 0.82 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL8247829 0.81 USP2 (0.53) ALDH1A1MAPTSMN1; SMN2HTTKDM4E
SCHEMBL8247932 0.80 ALDH1A1 (0.63) GAAALDH1A1MAPTHTTPOLB
SCHEMBL8246475 0.79 ALDH1A1 (0.58) GAAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4718989 0.79 ALDH1A1 (0.53) GAAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4719103 0.79 ABL1 (0.55) ALDH1A1MAPTSMN1; SMN2HTTKDM4E

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