SCHEMBL9688558

SCHEMBL9688558

CC(C)CCNC(=O)CCCN1CCC(C(C)(O)C=N)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
CNR1 P21554 2/20 0.38
LMNA P02545 4/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
MAPT P10636 1/20 0.36
NAMPT P43490 2/20 0.36
HPGD P15428 2/20 0.36
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
CYP2J2 P51589 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH1 P35367 2/20 0.33
DRD3 P35462 2/20 0.33

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
SCHEMBL24429270 0.77 SMN1; SMN2 (0.52) SMN1; SMN2TP53CNR1LMNAPKM
SCHEMBL8972354 0.75 TP53 (0.45) SMN1; SMN2TP53CNR1LMNAPKM
Hydrochloric Acid SCHEMBL8972193 0.74 TP53 (0.44) SMN1; SMN2TP53CNR1LMNAPKM
SCHEMBL24703447 0.68 ALDH1A1 (0.43) SMN1; SMN2TP53LMNAPKMALDH1A1
SCHEMBL22735753 0.68 LMNA (0.50) SMN1; SMN2CNR1LMNAPKMALDH1A1
SCHEMBL24703507 0.68 POLB (0.43) SMN1; SMN2TP53LMNAPKMALDH1A1
SCHEMBL8744396 0.67 TP53 (0.44) SMN1; SMN2TP53ALDH1A1FPR3FPR2
SCHEMBL8765184 0.67 MAPT (0.59) SMN1; SMN2TP53LMNAPKMALDH1A1
Hydrochloric Acid SCHEMBL9868216 0.66 MAPT (0.57) SMN1; SMN2TP53LMNAALDH1A1FPR3
SCHEMBL18673236 0.66 CYP2J2 (0.43) SMN1; SMN2CYP2J2HTTMEN1KMT2A

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
EP-0468457-A1 Novel substituted piperidines and their use as inhibitors of cholesterol synthesis MERRELL PHARMACEUTICALS INC. (US) 1992-01-29 EP claimed