SCHEMBL9532493

SCHEMBL9532493

CCCCCN1CCCC(COc2ccc(C(C)C)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
AGER Q15109 3/20 0.47
HRH3 Q9Y5N1 5/20 0.46
MAOB P27338 4/20 0.46
ACHE P22303 2/20 0.46
MAOA P21397 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LTA4H P09960 1/20 0.43
BCHE P06276 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43

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 SCHEMBL9527666 0.99 KMT2A (0.53) MEN1KMT2AAGERHRH3MAOB
SCHEMBL9372937 0.93 MEN1 (0.50) MEN1KMT2AKDM4ETDP1NPC1
Oxalic Acid SCHEMBL9368390 0.89 KMT2A (0.56) MEN1KMT2AHRH3KDM4ETDP1
SCHEMBL9697715 0.87 MEN1 (0.53) MEN1KMT2AHRH3MAOBACHE
Hydrochloric Acid SCHEMBL9528941 0.86 MEN1 (0.52) MEN1KMT2AHRH3MAOBACHE
SCHEMBL9527998 0.86 MEN1 (0.51) MEN1KMT2AAGERHRH3MAOB
SCHEMBL9698285 0.84 HRH3 (0.54) MEN1KMT2AHRH3MAOBKDM4E
SCHEMBL9531944 0.84 HRH3 (0.61) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
Oxalic Acid SCHEMBL9531846 0.83 HRH3 (0.64) MEN1KMT2AHRH3CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL9527566 0.83 HRH3 (0.53) MEN1KMT2AHRH3MAOBKDM4E

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 3 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
WO-1992002501-A1 3-SUBSTITUTED PIPERIDINE DERIVATIVES SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1992-02-20 WO disclosed