SCHEMBL8599511

SCHEMBL8599511

NC[C@@H](c1ccccn1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.44
KCNE1 P15382 1/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.37
GRM5 P41594 1/20 0.37
EPHX1 P07099 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
IDO1 P14902 1/20 0.36
PKM P14618 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8004235 1.00 KCNA5 (0.44) KCNA5KCNE1MEN1KMT2AKDM4E
SCHEMBL8598551 1.00 KCNA5 (0.44) KCNA5KCNE1MEN1KMT2AKDM4E
SCHEMBL22961730 0.84 KCNA5 (0.44) KCNA5KCNE1MEN1KMT2AKDM4E
SCHEMBL6370490 0.84 KCNA5 (0.44) KCNA5KCNE1MEN1KMT2AKDM4E
SCHEMBL9843699 0.83 KCNA5 (0.46) KCNA5KCNE1MEN1KMT2AKDM4E
SCHEMBL6989805 0.79 KMT2A (0.44) KCNA5KCNE1MEN1KMT2AKDM4E
SCHEMBL23109247 0.78 KCNA5 (0.47) KCNA5KCNE1MEN1KMT2AKDM4E
SCHEMBL6182773 0.78 KCNA5 (0.47) KCNA5KCNE1MEN1KMT2AKDM4E
SCHEMBL6850515 0.78 KCNA5 (0.47) KCNA5KCNE1MEN1KMT2AKDM4E
SCHEMBL19332957 0.78 KCNA5 (0.47) KCNA5KCNE1MEN1KMT2AKDM4E

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-0821672-A2 PROCESS FOR PREPARING RACEMIC AND ENANTIOMERIC 1-(PYRIDYL)-2-CYCLOHEXYLETHYLAMINE BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-02-04 EP disclosed
WO-1996033173-A2 PROCESS FOR PREPARING RACEMIC AND ENANTIOMERIC 1-(PYRIDYL)-2-CYCLOHEXYLETHYLAMINE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-10-24 WO disclosed