SCHEMBL21283152

SCHEMBL21283152

CC1C=C(N)C[C@@H](C)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.37
NOS1 P29475 5/20 0.37
NOS2 P35228 5/20 0.37
TLR4 O00206 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16119016 0.72
SCHEMBL28045648 0.68
SCHEMBL28045647 0.68
SCHEMBL30349775 0.68
SCHEMBL16709520 0.62
SCHEMBL19457314 0.62
SCHEMBL17155160 0.60 ALDH1A1 (0.31)
SCHEMBL14145328 0.59
SCHEMBL17886967 0.59
SCHEMBL8521007 0.59

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-2019161224-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS GiraFpharma LLC (US) 2019-08-22 WO disclosed