SCHEMBL25501916

SCHEMBL25501916

O=CN1CCC(C(=O)OCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP2C19 P33261 1/20 0.51
HPGD P15428 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
FKBP1A P62942 2/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL23816359 0.82 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HPGD
SCHEMBL28106752 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19HPGD
SCHEMBL28106751 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19HPGD
SCHEMBL24131982 0.82 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HPGD
SCHEMBL6642777 0.82 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HPGD
SCHEMBL24131137 0.81 L3MBTL1 (0.60) SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL24131658 0.81 L3MBTL1 (0.60) SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL2356908 0.80 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19PKM
SCHEMBL15626857 0.80 CHRM2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19L3MBTL1
SCHEMBL13832812 0.80 CHRM2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19L3MBTL1

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-2023086399-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF NURIX THERAPEUTICS, INC. (US) 2023-05-19 WO disclosed