SCHEMBL8342143

SCHEMBL8342143

CS(=O)(=O)OCC[C@H]1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAGLB Q8NCG7 1/20 0.49
PREP P48147 3/20 0.48
ACE2 Q9BYF1 3/20 0.48
FKBP1A P62942 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GFER P55789 1/20 0.45

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
SCHEMBL8342145 1.00 DAGLB (0.49) DAGLBPREPACE2FKBP1ATMEM97
SCHEMBL3119462 1.00 DAGLB (0.49) DAGLBPREPACE2FKBP1ATMEM97
SCHEMBL3130196 0.98 PREP (0.50) DAGLBPREPACE2NPSR1TSHR
SCHEMBL1873488 0.89 PREP (0.52) DAGLBPREPACE2NPSR1TSHR
SCHEMBL7939228 0.89 PREP (0.52) DAGLBPREPACE2NPSR1TSHR
SCHEMBL6597133 0.89 PREP (0.52) DAGLBPREPACE2NPSR1TSHR
SCHEMBL3354292 0.86 PREP (0.54) PREPACE2FKBP1ATMEM97SIGMAR1
SCHEMBL14646665 0.84 TMEM97 (0.56) PREPACE2FKBP1ATMEM97SIGMAR1
SCHEMBL19621551 0.84 TMEM97 (0.56) PREPACE2FKBP1ATMEM97SIGMAR1
SCHEMBL1873676 0.83 PREP (0.53) PREPACE2NPSR1TSHRCYP3A4

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-5917034-A Antithrombotic n-amidinopiperidine and benzamidine derivatives PFIZER INC. (US) 1999-06-29 US disclosed