SCHEMBL8449134

SCHEMBL8449134

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 3/20 0.49
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
NR1H3 Q13133 1/20 0.39
NR1D2 Q14995 1/20 0.39
CCR5 P51681 6/20 0.38
HPGD P15428 1/20 0.38
YAP1 P46937 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL8444887 0.88 NR1D1 (0.50) NR1D1ALDH1A1MAPTLMNACCR5
SCHEMBL8522244 0.88 NR1D1 (0.51) NR1D1ALDH1A1MAPTLMNANR1H3
SCHEMBL7463392 0.88 NR1D1 (0.51) NR1D1ALDH1A1MAPTLMNANR1H3
SCHEMBL7463372 0.79 ALDH1A1 (0.47) NR1D1ALDH1A1MAPTLMNAHPGD
SCHEMBL8449180 0.79 ALDH1A1 (0.47) NR1D1ALDH1A1MAPTLMNAHPGD
SCHEMBL8449163 0.79 ALDH1A1 (0.44) NR1D1ALDH1A1MAPTLMNA
SCHEMBL8444914 0.77 GRIN2B (0.37) ALDH1A1MAPTCCR5GRIN2B
SCHEMBL8448648 0.77 GRIN2B (0.37) ALDH1A1MAPTCCR5GRIN2B
SCHEMBL7449786 0.77 ALDH1A1 (0.41) NR1D1ALDH1A1MAPTLMNACCR5
Sulfuric Acid SCHEMBL5897764 0.76 CCR5 (0.39) NR1D1ALDH1A1MAPTLMNACCR5

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