SCHEMBL10899666

SCHEMBL10899666

O=C(O)COC[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.51
ACE2 Q9BYF1 2/20 0.49
KMT2A Q03164 1/20 0.49
GFER P55789 1/20 0.48
CTRB1 P17538 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL10899658 1.00 PREP (0.51) PREPACE2KMT2AGFERCTRB1
SCHEMBL13567881 0.89 PREP (0.52) PREPACE2KMT2AGFERCTRB1
SCHEMBL10903868 0.86 KMT2A (0.45) PREPACE2KMT2AGFERCTRB1
SCHEMBL4977446 0.86 PREP (0.53) PREPACE2KMT2AGFERNPSR1
SCHEMBL13567882 0.86 PREP (0.47) PREPACE2GFERNPSR1TSHR
SCHEMBL791439 0.85 PREP (0.57) PREPACE2KMT2AGFERNPSR1
SCHEMBL13994810 0.85 PREP (0.57) PREPACE2KMT2AGFERNPSR1
SCHEMBL1122261 0.85 PREP (0.55) PREPACE2KMT2AGFERCTRB1
SCHEMBL1122258 0.85 PREP (0.55) PREPACE2KMT2AGFERCTRB1
SCHEMBL15607552 0.84 ACE2 (0.55) PREPACE2GFERNPSR1TSHR

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-4596819-A Antidepressive agents WARNER-LAMBERT COMPANY (US) 1986-06-24 US claimed
US-4596819-A Antidepressive agents WARNER-LAMBERT COMPANY (US) 1986-06-24 US disclosed