SCHEMBL9119637

SCHEMBL9119637

O=C([C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1)N1CCCCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
NPBWR1 P48145 2/20 0.41
MCHR1 Q99705 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9728223 0.99 DPP8 (0.46) DPP8DPP9NPBWR1MCHR1
SCHEMBL9040592 0.90 ALDH1A1 (0.41) NPBWR1MCHR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL9040433 0.90 ALDH1A1 (0.41) NPBWR1MCHR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL9120984 0.90 OPRK1 (0.39) DPP8DPP9NPBWR1MCHR1ALDH1A1
SCHEMBL9199817 0.89 TDP1 (0.40) DPP8DPP9NPC1RAB9AALDH1A1
SCHEMBL9120876 0.89 ALDH1A1 (0.44) DPP8DPP9NPC1RAB9AALDH1A1
SCHEMBL8434820 0.88 TDP1 (0.43) DPP8DPP9ALDH1A1SMN1; SMN2LMNA
SCHEMBL8536750 0.88 KCNJ1 (0.42) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL8438589 0.88 KCNJ1 (0.42) ALDH1A1SMN1; SMN2KMT2A
Dimethylamine SCHEMBL6943989 0.88 ALDH1A1 (0.41) DPP8DPP9NPBWR1MCHR1ALDH1A1

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
US-5463046-A 1-β-methyl-2-thiolic carbapenem derivatives DONG KOOK PHARMACEUTICAL CO., LTD. (KR) 1995-10-31 US disclosed