SCHEMBL7974672

SCHEMBL7974672

CNC(=O)C[CH]CCC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
SOAT1 P35610 2/20 0.35
MEN1 O00255 1/20 0.35
FAAH O00519 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL15775001 0.88 FAAH (0.46) LMNASOAT1MEN1FAAHTP53
SCHEMBL6008933 0.82 MCL1 (0.34) LMNAMCL1
SCHEMBL4822553 0.80 HDAC3 (0.37) LMNASOAT1MEN1FAAHTP53
SCHEMBL5133636 0.79 SOAT1 (0.37) LMNASOAT1MEN1FAAHTP53
SCHEMBL8654432 0.75
SCHEMBL7021101 0.74 TSHR (0.37) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL1297846 0.74
Hydrochloric Acid SCHEMBL3355086 0.72 LMNA (0.48) LMNASOAT1MEN1FAAHTP53
SCHEMBL8002641 0.72
SCHEMBL487785 0.72 LMNA (0.48) LMNASOAT1MEN1FAAHTP53

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-2001057040-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2001-08-09 WO disclosed