SCHEMBL9005290

SCHEMBL9005290

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.51
MAPT P10636 5/20 0.48
LMNA P02545 4/20 0.48
MAPK1 P28482 3/20 0.48
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HIF1A Q16665 2/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
HTR1A P08908 2/20 0.48
NR1I2 O75469 1/20 0.48
NR3C1 P04150 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL9005293 0.86 ABCB1 (0.49) ABCB1MAPTLMNAMAPK1KDM4E
SCHEMBL8431138 0.85 MAPT (0.69) ABCB1MAPTLMNAMAPK1KDM4E
SCHEMBL8430992 0.78 ABCB1 (0.62) ABCB1
SCHEMBL9005291 0.77 ABCB1 (0.48) ABCB1MAPTMEN1KMT2AHTR1A
SCHEMBL8430999 0.75 ABCB1 (0.61) ABCB1MAPT
SCHEMBL8430932 0.73 ABCB1 (0.56) ABCB1MAPTLMNAMAPK1KDM4E
SCHEMBL8433505 0.73 POLB (0.63) ABCB1MAPTKMT2ATSHR
SCHEMBL8432645 0.73 MAPT (0.65) ABCB1MAPTLMNAKDM4EMEN1
SCHEMBL28965465 0.72 TSHR (0.61) MAPTLMNAMAPK1KDM4ETDP1
SCHEMBL28353455 0.72 TSHR (0.61) MAPTLMNAMAPK1KDM4EMEN1

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