SCHEMBL8564358

SCHEMBL8564358

O=c1[nH]c2ccccc2n1C1=CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 1.00
MAPT P10636 5/20 1.00
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
AURKA O14965 2/20 0.47
POLB P06746 3/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DAO P14920 1/20 0.45
HSP90AA1 P07900 4/20 0.44
CHRM4 P08173 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CACNA1F O60840 1/20 0.44
CYP3A4 P08684 1/20 0.44
CHRM5 P08912 1/20 0.44

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
SCHEMBL12799401 0.95 LMNA (0.91) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL2895027 0.79 KDM4E (1.00) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL30688971 0.79 KDM4E (1.00) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL25012400 0.79 LMNA (0.65) LMNAMAPTKDM4EALDH1A1ALOX15
Hydrochloric Acid SCHEMBL28652496 0.78 KDM4E (0.97) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL5121168 0.78 LMNA (0.63) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL14543343 0.77 LMNA (0.62) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL25012395 0.77 LMNA (0.62) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL14276930 0.73 LMNA (0.68) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL25011226 0.72 LMNA (0.55) LMNAMAPTKDM4EALDH1A1ALOX15

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-0708101-B1 Piperidine derivatives, useful as neurokinin receptor antagonists ADIR (FR) 1998-12-09 EP disclosed
US-5652246-A NEUROKININ RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-07-29 US disclosed
EP-0708101-A1 Novel piperidine derivatives, useful as neurokinin receptor antagonists ADIR ET COMPAGNIE (FR) 1996-04-24 EP disclosed