SCHEMBL8433535

SCHEMBL8433535

O=C(O)c1ccccc1N1CCN(CC(O)COc2cccc3[nH]ccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.56
ABCB1 P08183 9/20 0.55
MAPT P10636 5/20 0.54
MAPK1 P28482 3/20 0.54
KDM4E B2RXH2 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTR1A P08908 5/20 0.54
SLC6A4 P31645 3/20 0.54
LMNA P02545 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HIF1A Q16665 2/20 0.53
ADRB1 P08588 2/20 0.53
NR1I2 O75469 1/20 0.53
NR3C1 P04150 1/20 0.53
ADRA2A P08913 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53

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
SCHEMBL8430932 0.88 ABCB1 (0.56) SCN9AABCB1MAPTMAPK1KDM4E
SCHEMBL6772142 0.88 MAPT (0.59) MAPTMAPK1KDM4ENPSR1HTR1A
SCHEMBL8431050 0.85 MAPT (0.74) ABCB1MAPTMAPK1KDM4ENPSR1
Hydrochloric Acid SCHEMBL7885529 0.85 MAPT (0.67) MAPTMAPK1KDM4ENPSR1HTR1A
Hydrochloric Acid SCHEMBL7887645 0.85 MAPT (0.73) MAPTMAPK1KDM4EHTR1ASLC6A4
Hydrochloric Acid SCHEMBL7885717 0.85 MAPT (0.73) MAPTMAPK1KDM4EHTR1ASLC6A4
SCHEMBL7881247 0.83 MAPT (0.54) MAPTMAPK1KDM4ENPSR1HTR1A
SCHEMBL7883003 0.83 ABCB1 (0.65) ABCB1MAPTMAPK1KDM4EHTR1A
SCHEMBL11540486 0.83 ADRB2 (0.61) ABCB1HTR1ASLC6A4ADRB1ADRB2
SCHEMBL6772718 0.82 MAPT (0.52) MAPTMAPK1KDM4ENPSR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981530-A FOR TREATMENT OF ALLERGIC DISEASES SENJU PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US claimed
EP-0735030-A1 Piperazine derivative having antiallergic activity Senju Pharmaceutical Co., Ltd. (JP) 1996-10-02 EP claimed
US-5981530-A FOR TREATMENT OF ALLERGIC DISEASES SENJU PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0735030-A1 Piperazine derivative having antiallergic activity Senju Pharmaceutical Co., Ltd. (JP) 1996-10-02 EP disclosed