SCHEMBL25628757

SCHEMBL25628757

CC(C)C1=CCN(C(=O)C2CCOC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.47
GRM5 P41594 1/20 0.41
RIPK1 Q13546 1/20 0.40
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
CNR2 P34972 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
SCHEMBL25628756 0.84 HPGD (0.39) NAMPT
SCHEMBL17888262 0.82 NAMPT (0.53) NAMPTGRM5CNR2
SCHEMBL17886600 0.80 NAMPT (0.48) NAMPTGRM5CNR2
SCHEMBL21078128 0.80 NAMPT (0.50) NAMPTGRM5
SCHEMBL26027615 0.75 NR1H2 (0.37) GRM5
SCHEMBL21665288 0.74 MEN1 (0.34) GRM5
SCHEMBL21100748 0.73 MAPT (0.45)
SCHEMBL17888258 0.73 NAMPT (0.51) NAMPTGRM5CNR2
SCHEMBL17660297 0.72 MAPT (0.39) GRM5
SCHEMBL104852 0.72 QDPR (0.45) NAMPT

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-2023098825-A1 SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 勤浩医药(苏州)有限公司 2023-06-08 WO disclosed