SCHEMBL19258607

SCHEMBL19258607

O=C(OCc1ccccc1)N1CCC[C@H]1C(O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.63
ACE2 Q9BYF1 3/20 0.56
CTRB1 P17538 1/20 0.55
KMT2A Q03164 1/20 0.53
KLK7 P49862 1/20 0.53
KLK5 Q9Y337 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL7836712 0.90 PREP (0.64) PREPACE2CTRB1KMT2AKLK7
SCHEMBL7375418 0.90 PREP (0.60) PREPACE2CTRB1KMT2AKLK7
SCHEMBL9873735 0.90 PREP (0.64) PREPACE2CTRB1KMT2AKLK7
SCHEMBL9872379 0.88 PREP (0.59) PREPACE2CTRB1KMT2AKLK7
SCHEMBL9872387 0.88 PREP (0.59) PREPACE2CTRB1KMT2AKLK7
SCHEMBL13532966 0.88 PREP (0.65) PREPACE2CTRB1KMT2AKLK7
SCHEMBL8272821 0.88 PREP (0.65) PREPACE2CTRB1KMT2AKLK7
SCHEMBL9872394 0.87 PREP (0.61) PREPACE2CTRB1KMT2AKLK7
SCHEMBL9872401 0.87 PREP (0.61) PREPACE2CTRB1KMT2AKLK7
Hydrochloric Acid SCHEMBL2437118 0.87 PREP (0.64) PREPACE2CTRB1KMT2AKLK7

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
WO-2017136348-A1 PROCESSES FOR SYNTHESIS OF DIPYRROLIDINE PEPTIDE COMPOUNDS NAUREX, INC. (US) 2017-08-10 WO disclosed