SCHEMBL5312019

SCHEMBL5312019

CCNC(=O)c1ccc(N2CCCN(C(=O)c3c(F)cccc3C(F)(F)F)C2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.48
SMN1; SMN2 Q16637 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 6/20 0.42
RAB9A P51151 6/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 5/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.39
HPGDS O60760 2/20 0.39
MPL P40238 2/20 0.38
FASN P49327 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
CNR1 P21554 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
SCHEMBL5308876 0.87 SCD (0.63) SCD
SCHEMBL5310049 0.85 KDM4E (0.49) SMN1; SMN2ALDH1A1RAB9AKDM4EMAPK1
SCHEMBL5312702 0.85 SCD (0.49) SCD
SCHEMBL5312021 0.83 SCD (0.42) SCDSMN1; SMN2HTTMPL
SCHEMBL5310683 0.82 SCD (0.42) SCDSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL5311994 0.80 SCD (0.66) SCD
SCHEMBL5307544 0.80 SCD (0.51) SCDSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL5310959 0.79 SCD (0.64) SCD
SCHEMBL5310974 0.78 SCD (0.63) SCD
SCHEMBL5308951 0.77 SCD (0.62) SCD

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
WO-2007046867-A2 PIPERIDINE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-26 WO disclosed