SCHEMBL9542815

SCHEMBL9542815

O=C(O)[C@H]1C=C(c2ccccc2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
HTR2C P28335 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AGTR2 P50052 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PARP1 P09874 1/20 0.41

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
SCHEMBL5766692 1.00 NPC1 (0.48) NPC1RAB9ASMN1; SMN2PSEN1PSEN2
SCHEMBL5766697 1.00 NPC1 (0.48) NPC1RAB9ASMN1; SMN2PSEN1PSEN2
SCHEMBL6218732 0.88 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PSEN1PSEN2
SCHEMBL6218736 0.88 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PSEN1PSEN2
SCHEMBL5764834 0.83 PSEN1 (0.44) NPC1RAB9ASMN1; SMN2PSEN1PSEN2
SCHEMBL5764841 0.83 PSEN1 (0.44) NPC1RAB9ASMN1; SMN2PSEN1PSEN2
SCHEMBL6219600 0.81 NPSR1 (0.44) NPC1RAB9ASMN1; SMN2PSEN1PSEN2
SCHEMBL6219598 0.81 NPSR1 (0.44) NPC1RAB9ASMN1; SMN2PSEN1PSEN2
SCHEMBL6219722 0.81 NPSR1 (0.41) NPC1RAB9ASMN1; SMN2PSEN1PSEN2
SCHEMBL6219724 0.81 NPSR1 (0.41) NPC1RAB9ASMN1; SMN2PSEN1PSEN2

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