SCHEMBL9544300

SCHEMBL9544300

O=C(O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@H]1Cc2ccccc2N1C(=O)OC1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.37
FFAR2 O15552 1/20 0.36
ACE P12821 2/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9544923 1.00 PREP (0.37) PREPFFAR2ACEPOLBTDP1
SCHEMBL9543981 1.00 PREP (0.37) PREPFFAR2ACEPOLBTDP1
SCHEMBL9543570 0.99 PREP (0.38) PREPFFAR2ACEPOLBTDP1
SCHEMBL9542903 0.97 PREP (0.38) PREPFFAR2ACEPOLBTDP1
SCHEMBL9542899 0.97 PREP (0.38) PREPFFAR2ACEPOLBTDP1
SCHEMBL9544048 0.94 PREP (0.38) PREPFFAR2
SCHEMBL9544042 0.94 PREP (0.38) PREPFFAR2
SCHEMBL9542906 0.93 MMP9 (0.39) FFAR2
SCHEMBL9542488 0.90 PREP (0.33) PREP
SCHEMBL9542560 0.89 FFAR2 (0.35) FFAR2ACEPOLB

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