SCHEMBL9563392

SCHEMBL9563392

O=[N+]([O-])c1cccc(OCCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.61
PARP14 Q460N5 1/20 0.51
LTA4H P09960 1/20 0.49
PTGS2 P35354 1/20 0.49
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
HPGDS O60760 1/20 0.46
NPC1 O15118 1/20 0.46
MLNR O43193 1/20 0.46
NR1I2 O75469 1/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 1/20 0.46
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
ABCB1 P08183 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM5 P08912 1/20 0.46

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
SCHEMBL9563324 0.89 BCHE (0.69) BCHEPARP14LTA4HPTGS2
SCHEMBL9563267 0.82 BCHE (0.53) BCHEPARP14HPGDSNPC1MLNR
SCHEMBL9563224 0.81 LTA4H (0.57) LTA4HPTGS2CHRNB4CHRNA3LMNA
SCHEMBL9563333 0.81 CYP2D6 (0.60) BCHEPARP14HPGDSNPC1RAB9A
SCHEMBL18788213 0.79 LTA4H (0.73) LTA4HPTGS2CHRNB4CHRNA3
SCHEMBL9563354 0.78 BCHE (0.54) BCHEPARP14HPGDSNPC1MLNR
SCHEMBL13202242 0.78 LTA4H (0.72) LTA4HPTGS2CHRNB4CHRNA3
SCHEMBL9563182 0.78 DRD2 (0.53) BCHEPARP14NPC1MLNRNR1I2
SCHEMBL9563236 0.78 BCHE (0.55) BCHEPARP14ACHESLC6A3FAAH
SCHEMBL9563348 0.78 ALDH1A1 (0.61) BCHEPARP14NPC1LMNARAB9A

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-0529365-A1 Diarylmethoxypiperidine derivatives Kaken Pharmaceutical Co., Ltd. (JP) 1993-03-03 EP disclosed
US-5190959-A Antihistamines, antiallergens, treatment of ischemic heart disease KAKEN PHARMACEUTICAL CO. LTD. (JP) 1993-03-02 US disclosed