SCHEMBL23629616

SCHEMBL23629616

CC1C[C@@H](COC(=O)c2ccccc2)N(C(=O)O)C1O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.52
CHRNA7 P36544 4/20 0.52
CHRNA4 P43681 4/20 0.52
CHRNA5 P30532 3/20 0.52
NPC1 O15118 1/20 0.45
CES2 O00748 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
LMNA P02545 1/20 0.41
DPP4 P27487 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL30223760 0.87 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5NPC1
SCHEMBL25694133 0.87 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5NPC1
SCHEMBL18588004 0.80 CHRNB2 (0.52) CHRNB2CHRNA7CHRNA4CHRNA5NPC1
SCHEMBL18588003 0.80 CHRNB2 (0.52) CHRNB2CHRNA7CHRNA4CHRNA5NPC1
SCHEMBL19615663 0.80 CHRNB2 (0.52) CHRNB2CHRNA7CHRNA4CHRNA5NPC1
SCHEMBL18587701 0.80 CHRNB2 (0.52) CHRNB2CHRNA7CHRNA4CHRNA5NPC1
SCHEMBL25235927 0.75 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4CHRNA5NPC1
SCHEMBL23629606 0.74 CHRNB2 (0.52) CHRNB2CHRNA7CHRNA4CHRNA5NPC1
SCHEMBL31603568 0.73 CHRNB2 (0.48) CHRNB2CHRNA7CHRNA4CHRNA5NPC1
SCHEMBL31603370 0.72 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5NPC1

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