SCHEMBL20458149

SCHEMBL20458149

CCc1sc(N[C@@H](O)[C@@H]2CCN2C(=O)OC(C)(C)C)nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.45
CKS1B P61024 4/20 0.41
SKP1 P63208 4/20 0.41
SKP2 Q13309 4/20 0.41
USP30 Q70CQ3 1/20 0.41
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
RORC P51449 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ACKR3 P25106 1/20 0.38
GAA P10253 1/20 0.38
AR P10275 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 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
SCHEMBL9892864 0.83 MAPT (0.54) ALDH1A1HSD17B10HPGDTSHRMAPT
SCHEMBL20458171 0.79 L3MBTL1 (0.48) ALDH1A1MAPTGAAADORA1
SCHEMBL3710631 0.79 L3MBTL1 (0.54) ALDH1A1HSD17B10HPGDTSHRMAPT
SCHEMBL13257813 0.79 L3MBTL1 (0.54) ALDH1A1HSD17B10HPGDTSHRMAPT
SCHEMBL9107659 0.75 MAPT (0.52) ALDH1A1HSD17B10HPGDTSHRMAPT
SCHEMBL20458205 0.75 RAB9A (0.50) ALDH1A1HPGDMAPTGAA
SCHEMBL20458247 0.74 LMNA (0.40) MAPTGAA
SCHEMBL20458169 0.73 L3MBTL1 (0.45) ALDH1A1MAPTUSP30
SCHEMBL20458202 0.72 ATAD2 (0.47) ALDH1A1HSD17B10HPGDTSHRMAPT
SCHEMBL20458229 0.71 CNR2 (0.39) HSD17B10

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-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed