SCHEMBL9005293

SCHEMBL9005293

O=C(O)c1ccccc1N1CCN(CC(O)Cc2cccc3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.49
MAPT P10636 6/20 0.48
MAPK1 P28482 3/20 0.48
KDM4E B2RXH2 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
HIF1A Q16665 2/20 0.47
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
NR1I2 O75469 1/20 0.47
NR3C1 P04150 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 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
SCHEMBL9005290 0.86 ABCB1 (0.51) ABCB1MAPTMAPK1KDM4ENPSR1
SCHEMBL8431050 0.82 MAPT (0.74) ABCB1MAPTMAPK1KDM4ENPSR1
SCHEMBL8434695 0.74 L3MBTL1 (0.67) ABCB1KDM4EMEN1KMT2AHIF1A
SCHEMBL9005296 0.73 HSP90AB1 (0.51) ABCB1MAPTKDM4EALDH1A1TP53
SCHEMBL8048603 0.71 ALDH1A1 (0.61) TDP1MEN1KMT2AUSP2ALDH1A1
SCHEMBL8432590 0.71 ABCB1 (0.61) ABCB1MAPTMAPK1LMNAKMT2A
SCHEMBL6281664 0.71 CYP3A4 (0.59) ABCB1KDM4ENPSR1LMNAMEN1
SCHEMBL7282636 0.71 ABCB1 (0.45) ABCB1MAPTMAPK1TDP1MEN1
SCHEMBL8432330 0.70 ABCB1 (0.60) ABCB1MAPTMAPK1LMNAKMT2A
SCHEMBL8444554 0.70 KMT2A (0.62) MAPTMAPK1KDM4ENPSR1LMNA

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
EP-0735030-A1 Piperazine derivative having antiallergic activity Senju Pharmaceutical Co., Ltd. (JP) 1996-10-02 EP claimed
EP-0735030-A1 Piperazine derivative having antiallergic activity Senju Pharmaceutical Co., Ltd. (JP) 1996-10-02 EP disclosed