SCHEMBL8522244

SCHEMBL8522244

CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 3/20 0.51
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
LIMK2 P53671 1/20 0.43
NR1H3 Q13133 1/20 0.41
NR1D2 Q14995 1/20 0.41
GPR119 Q8TDV5 4/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
HPGD P15428 1/20 0.40
CCR5 P51681 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL7463392 1.00 NR1D1 (0.51) NR1D1ALDH1A1MAPTLMNALIMK2
SCHEMBL8444887 0.89 NR1D1 (0.50) NR1D1ALDH1A1MAPTLMNAGPR119
SCHEMBL8449134 0.88 NR1D1 (0.49) NR1D1ALDH1A1MAPTLMNANR1H3
SCHEMBL19123127 0.86 JAK2 (0.53) LIMK2GPR119JAK2JAK1
SCHEMBL7463372 0.82 ALDH1A1 (0.47) NR1D1ALDH1A1MAPTLMNAGPR119
SCHEMBL8449180 0.82 ALDH1A1 (0.47) NR1D1ALDH1A1MAPTLMNAGPR119
SCHEMBL5868057 0.80 LIMK2 (0.58) LIMK2GPR119JAK2JAK1GRIN2B
SCHEMBL7460564 0.80 GRIN2B (0.37) NR1D1ALDH1A1MAPTNR1H3NR1D2
SCHEMBL8447213 0.80 GRIN2B (0.37) NR1D1ALDH1A1MAPTNR1H3NR1D2
SCHEMBL7450103 0.80 GRIN2B (0.37) NR1D1ALDH1A1MAPTNR1H3NR1D2

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
US-5977097-A 1-methylcarbapenem derivatives SANKYO COMPANY LIMITED (JP) 1999-11-02 US disclosed
EP-0900797-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1999-03-10 EP disclosed