SCHEMBL9527422

SCHEMBL9527422

CCCCCN1CCCC(COc2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPY1R P25929 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
LTA4H P09960 2/20 0.52
EPHX2 P34913 1/20 0.52
LMNA P02545 1/20 0.50
KDM2B Q8NHM5 1/20 0.49
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA4 P43681 2/20 0.48
HRH3 Q9Y5N1 6/20 0.48
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL9527542 0.99 KDM4E (0.53) KDM4ENPC1RAB9AALDH1A1HTT
SCHEMBL9706744 0.93 KCNH2 (0.55) KDM4ENPC1RAB9AALDH1A1HTT
Hydrochloric Acid SCHEMBL9368539 0.92 KCNH2 (0.54) KDM4ENPC1RAB9AALDH1A1HTT
SCHEMBL9528653 0.91 HRH3 (0.53) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL9529213 0.90 HRH3 (0.52) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL27342609 0.90 CHRNB4 (0.50) LTA4HEPHX2CHRNB2CHRNB4CHRNA3
SCHEMBL9531944 0.89 HRH3 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4HRH3
Oxalic Acid SCHEMBL9528802 0.86 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2LMNACHRNB2
Oxalic Acid SCHEMBL9697600 0.85 CHRNB2 (0.58) KDM4EALDH1A1LMNACHRNB2CHRNB4
SCHEMBL7400508 0.84 KDM4E (0.54) KDM4ENPC1RAB9AALDH1A1HTT

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
EP-0542844-A1 3-SUBSTITUTED PIPERIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-05-26 EP claimed
WO-1992002501-A1 3-SUBSTITUTED PIPERIDINE DERIVATIVES SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1992-02-20 WO claimed
EP-0542844-A1 3-SUBSTITUTED PIPERIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-05-26 EP disclosed
WO-1992002501-A1 3-SUBSTITUTED PIPERIDINE DERIVATIVES SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1992-02-20 WO disclosed