SCHEMBL31447804

SCHEMBL31447804

O=C(OCc1ccccc1)N1CC2(CC=CC2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 2/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
CTRB1 P17538 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
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
ALDH1A1 P00352 3/20 0.45
HTR2C P28335 1/20 0.44
P2RX4 Q99571 2/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL30703145 0.77 MEN1 (0.49) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL29235094 0.77 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL18320516 0.76 MEN1 (0.51) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL22638725 0.74 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL29413615 0.74 KMT2A (0.55) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL8354350 0.73 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL2210981 0.73 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL2539997 0.73 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL29324349 0.72 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPK1GAA
SCHEMBL18320514 0.72 MEN1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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
CN-119604494-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2025-03-11 CN disclosed