SCHEMBL9544082

SCHEMBL9544082

O=C(O)C[C@H]1CNCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 1/20 0.50
FFAR1 O14842 1/20 0.42
PPARD Q03181 2/20 0.40
HTR2A P28223 1/20 0.40
EGFR P00533 1/20 0.39
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPRA P18433 1/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3118805 1.00 MEN1 (0.50) MEN1CYP3A4CYP2D6KMT2AFFAR1
SCHEMBL2264568 0.80 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL29570896 0.80 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL14978978 0.78 FFAR1 (0.47) FFAR1PPARDTP53L3MBTL1
SCHEMBL8638015 0.78 FFAR1 (0.47) FFAR1PPARDTP53L3MBTL1
SCHEMBL11072045 0.77 MEN1 (0.53) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL29700481 0.77 MEN1 (0.49) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL17120414 0.76 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL17121746 0.76 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL26201345 0.76 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A

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