SCHEMBL9544000

SCHEMBL9544000

O=C(O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@H]1Cc2ccccc2N1C(=O)OC1CC2CCC1C2

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.35
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ACE P12821 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL9544297 0.89 PREP (0.35) PREPPOLBTDP1ACEL3MBTL1
SCHEMBL9545303 0.89 PREP (0.35) PREPPOLBTDP1ACEL3MBTL1
SCHEMBL9543369 0.86 PREP (0.37) PREPPOLBACE
SCHEMBL9543358 0.86 PREP (0.37) PREPPOLBACE
SCHEMBL9542899 0.85 PREP (0.38) PREPPOLBTDP1ACEL3MBTL1
SCHEMBL9543570 0.85 PREP (0.38) PREPPOLBTDP1ACEL3MBTL1
SCHEMBL9542903 0.85 PREP (0.38) PREPPOLBTDP1ACEL3MBTL1
SCHEMBL9544923 0.84 PREP (0.37) PREPPOLBTDP1ACEL3MBTL1
SCHEMBL9543981 0.84 PREP (0.37) PREPPOLBTDP1ACEL3MBTL1
SCHEMBL9544300 0.84 PREP (0.37) PREPPOLBTDP1ACEL3MBTL1

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO claimed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed