SCHEMBL14249072

SCHEMBL14249072

CC1CCn2cccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
DRD3 P35462 2/20 0.33
SOS1 Q07889 1/20 0.33
SOS2 Q07890 1/20 0.33
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
PIK3CD O00329 1/20 0.30
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14249861 0.89 CA1 (0.34) ACHESOS1SOS2MAPTKMT2A
SCHEMBL14249649 0.81 GAA (0.34) ACHEGAAMAPTMEN1KMT2A
SCHEMBL1180986 0.69 IDO1 (0.32)
SCHEMBL1180985 0.69 IDO1 (0.32)
SCHEMBL1181258 0.69 IDO1 (0.32)
SCHEMBL14249217 0.68
SCHEMBL14249004 0.67 GRM5 (0.40)
SCHEMBL12810523 0.67 ACHE (0.33) ACHE
SCHEMBL18322279 0.66 HTR2C (0.36) ACHE
SCHEMBL11916069 0.65 ACHE (0.37) ACHEDRD3SOS1SOS2NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012172093-A1 DIHYDROINDOLIZINE DERIVATE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-12-20 WO disclosed
WO-2012172093-A1 DIHYDROINDOLIZINE DERIVATE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-12-20 WO disclosed