SCHEMBL5764798

SCHEMBL5764798

CC(C)(C)OC(=O)NCC[C@@H](CO)N1CC(Sc2ccc(Cl)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.44
IDO1 P14902 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
BRD4 O60885 2/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
TRPA1 O75762 1/20 0.35

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
SCHEMBL6621800 0.83 DRD2 (0.44) DRD2IDO1LMNAALDH1A1SMN1; SMN2
SCHEMBL5760995 0.81 DRD2 (0.42) DRD2IDO1LMNAALDH1A1SMN1; SMN2
SCHEMBL5761293 0.78 CNR1 (0.48) LMNAALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL5219319 0.75 DRD2 (0.40) DRD2LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL6621956 0.73 DRD2 (0.43) DRD2IDO1LMNAKMT2AGAA
SCHEMBL6620958 0.70 DRD2 (0.46) DRD2IDO1LMNAALDH1A1SMN1; SMN2
SCHEMBL30334063 0.70 DRD2 (0.49) DRD2IDO1LMNAALDH1A1SMN1; SMN2
SCHEMBL30334617 0.70 DRD2 (0.49) DRD2IDO1LMNAALDH1A1SMN1; SMN2
SCHEMBL3650901 0.70 DRD2 (0.49) DRD2IDO1LMNAALDH1A1SMN1; SMN2
SCHEMBL3660216 0.69 DRD2 (0.46) DRD2IDO1LMNAALDH1A1SMN1; SMN2

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
EP-1663966-A1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES Novartis AG (CH) 2006-06-07 EP disclosed
WO-2005026113-A1 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2005-03-24 WO disclosed