SCHEMBL8106773

SCHEMBL8106773

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(CCO)CCNC(=O)OCc2ccc([N+](=O)[O-])cc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
ABCB1 P08183 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
TGM2 P21980 1/20 0.34
HPGD P15428 1/20 0.34
CTSL P07711 4/20 0.33
BMP1 P13497 1/20 0.33
GAA P10253 1/20 0.33
CCR5 P51681 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL9399996 0.95 DPP8 (0.36) DPP8DPP9ABCB1ALDH1A1MAPT
SCHEMBL8108227 0.93 DPP8 (0.38) DPP8DPP9ABCB1ALDH1A1MAPT
SCHEMBL8106599 0.85 DPP8 (0.42) DPP8DPP9ALDH1A1MAPTTGM2
SCHEMBL9596597 0.83 ABCB1 (0.42) DPP8DPP9ABCB1ALDH1A1MAPT
SCHEMBL8112463 0.82 ABCB1 (0.39) DPP8DPP9ABCB1ALDH1A1MAPT
SCHEMBL9605060 0.82 DPP8 (0.34) DPP8DPP9ABCB1ALDH1A1MAPT
SCHEMBL8106387 0.81 DPP8 (0.43) DPP8DPP9ALDH1A1MAPTTGM2
SCHEMBL9019973 0.80 MAPT (0.37) ALDH1A1MAPTHPGDCCR5SMN1; SMN2
SCHEMBL9847187 0.80 DPP8 (0.38) DPP8DPP9ABCB1ALDH1A1MAPT
SCHEMBL9847186 0.80 DPP8 (0.38) DPP8DPP9ABCB1ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545290-B1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 2000-08-23 EP disclosed
US-5550121-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed