SCHEMBL17533976

SCHEMBL17533976

C=CCc1cnn(-c2ccccc2)c1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.52
RAB9A P51151 6/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
SMO Q99835 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2C8 P10632 2/20 0.38
CYP2C18 P33260 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PPARG P37231 1/20 0.37
BLM P54132 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 4/20 0.36

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
SCHEMBL12338161 0.84 NR4A3 (0.66) NR4A3RAB9ADRD2DRD4DRD3
SCHEMBL6534028 0.80 NR4A3 (0.65) NR4A3RAB9ADRD2DRD4DRD3
SCHEMBL18265951 0.74 NR4A3 (0.61) NR4A3RAB9ADRD2DRD4DRD3
SCHEMBL23401144 0.72 NR4A3 (0.64) NR4A3RAB9AMAPTALDH1A1NPSR1
SCHEMBL17610398 0.72 NR4A3 (0.59) NR4A3RAB9AMEN1KMT2ACYP2C19
SCHEMBL1906441 0.72 NR4A3 (0.59) NR4A3RAB9AMEN1KMT2AMAPT
SCHEMBL4037627 0.72 NR4A3 (0.59) NR4A3RAB9AMAPTALDH1A1NPSR1
SCHEMBL12806554 0.70 SMO (0.59) NR4A3RAB9ADRD2DRD4DRD3
SCHEMBL12340468 0.70 NR4A3 (0.56) NR4A3RAB9AMEN1KMT2AMAPT
SCHEMBL14468578 0.69 NR4A3 (0.51) NR4A3RAB9ADRD2DRD4DRD3

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-2308838-B1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2016-02-17 EP disclosed