SCHEMBL8412833

SCHEMBL8412833

CC(C)(C)OC(=O)N1CCCCC1CCc1noc2cc(NC(=O)c3ccccc3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.60
BCHE P06276 2/20 0.51
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
KDM1A O60341 1/20 0.38
HSD11B1 P28845 2/20 0.38
HSD17B1 P14061 1/20 0.38
CHEK2 O96017 1/20 0.37
NPC1 O15118 1/20 0.37
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37

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
SCHEMBL7090686 0.75 ACHE (1.00) ACHEBCHE
SCHEMBL6223221 0.72 KDM4E (0.64) KDM4EPKMKDM1A
SCHEMBL6223223 0.72 KDM4E (0.64) KDM4EPKMKDM1A
SCHEMBL2689602 0.69 KLK7 (0.49) MEN1KMT2AKDM1ANPC1
SCHEMBL3046705 0.69 KLK7 (0.49) MEN1KMT2AKDM1ANPC1
SCHEMBL13086596 0.69 KLK7 (0.49) MEN1KMT2AKDM1ANPC1
SCHEMBL4664834 0.69 KDM4E (0.65) KDM4EPKMKDM1A
Benzoyl Chloride SCHEMBL7166401 0.68 KDM4E (0.58) KDM4EPKMKDM1A
SCHEMBL6307951 0.67 ANO1 (0.43) MEN1KMT2AHSD11B1NPC1
SCHEMBL22652855 0.67 ATM (0.45) KDM1ACHEK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed