SCHEMBL23401533

SCHEMBL23401533

CCCc1c(-c2ccccc2)c(O)nn1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.38
CNR2 P34972 2/20 0.36
GCGR P47871 2/20 0.35
TRPV1 Q8NER1 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 1/20 0.35
MAPT P10636 2/20 0.33
TP53 P04637 1/20 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
SCHEMBL23403391 0.92 GCGR (0.39) DPP4CNR2GCGRTRPV1ALDH1A1
SCHEMBL23399955 0.89 DPP4 (0.40) DPP4CNR2GCGRTRPV1ALDH1A1
SCHEMBL23398693 0.88 GCGR (0.37) DPP4GCGRALDH1A1SMN1; SMN2
SCHEMBL23398980 0.86 CNR2 (0.38) DPP4CNR2TRPV1ALDH1A1SMN1; SMN2
SCHEMBL23401127 0.85 SMN1; SMN2 (0.39) SMN1; SMN2MAPTTP53
SCHEMBL23400007 0.84 MAPT (0.40) ALDH1A1SMN1; SMN2CNR1MAPTTP53
SCHEMBL23401174 0.82 NR1H3 (0.47) ALDH1A1MAPT
SCHEMBL23399087 0.81 MEN1 (0.40) CNR2MAPTTP53
SCHEMBL23398753 0.80 CNR2 (0.40) DPP4CNR2TRPV1ALDH1A1SMN1; SMN2
SCHEMBL23403583 0.80 CNR2 (0.40) DPP4CNR2GCGRTRPV1ALDH1A1

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed