SCHEMBL23629617

SCHEMBL23629617

O=C(OC[C@@H]1CCC(=O)N1C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.54
CHRNA5 P30532 2/20 0.54
CHRNA7 P36544 2/20 0.54
CHRNA4 P43681 2/20 0.54
NPC1 O15118 2/20 0.44
FOLH1 Q04609 1/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 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
SCHEMBL25281395 1.00 CHRNB2 (0.54) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL25694074 0.84 CHRNB2 (0.50) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL25694076 0.84 CHRNB2 (0.50) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL23629606 0.76 CHRNB2 (0.52) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL22462730 0.75 ABCB1 (0.41)
SCHEMBL17959617 0.72 SMYD2 (0.39) NPC1MEN1KMT2ARAB9A
SCHEMBL532785 0.72 CARM1 (0.61) CHRNB2CHRNA5CHRNA7CHRNA4CARM1
SCHEMBL8447322 0.72 CARM1 (0.61) CHRNB2CHRNA5CHRNA7CHRNA4CARM1
SCHEMBL8937065 0.72 CHRNB2 (0.50) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL8937063 0.72 CHRNB2 (0.50) CHRNB2CHRNA5CHRNA7CHRNA4NPC1

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-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
EP-3847174-A1 MORPHIC FORMS OF COMPLEMENT FACTOR D INHIBITORS Achillion Pharmaceuticals, Inc. (US) 2021-07-14 EP disclosed