SCHEMBL8613640

SCHEMBL8613640

CC(=O)N1CCc2ccc(C(O)C3CCN(C)CC3)cc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.52
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
XIAP P98170 1/20 0.40
BIRC2 Q13490 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
EGFR P00533 1/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL10080932 0.78 NOTUM (0.63) NOTUMLMNAALDH1A1SMN1; SMN2CYP11B1
SCHEMBL8617331 0.74 ACHE (0.46) KDM4E
SCHEMBL8655991 0.73 NOTUM (0.53) NOTUMLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL8133031 0.73 NOTUM (0.60) NOTUMALDH1A1SMN1; SMN2KDM4EEGFR
SCHEMBL14754335 0.72 NOTUM (0.55) NOTUMLMNAALDH1A1SMN1; SMN2CYP11B1
SCHEMBL31689853 0.72 NOTUM (0.61) NOTUMLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL14665068 0.71 NOTUM (0.58) NOTUMLMNAALDH1A1SMN1; SMN2CYP11B1
SCHEMBL6608567 0.71 NOTUM (0.53) NOTUMLMNAALDH1A1SMN1; SMN2EGFR
SCHEMBL6608569 0.71 NOTUM (0.53) NOTUMLMNAALDH1A1SMN1; SMN2EGFR
SCHEMBL25786385 0.70 NOTUM (0.59) NOTUMLMNAALDH1A1XIAPBIRC2

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-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed