SCHEMBL31415465

SCHEMBL31415465

COC(=O)[C@@]1(NC(=O)c2ccccn2)CCC[C@H](C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
LMNA P02545 2/20 0.48
GRM5 P41594 2/20 0.43
FPR2 P25090 1/20 0.43
GRM4 Q14833 4/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
PKM P14618 4/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.40
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
CDK5 Q00535 1/20 0.39
PAX8 Q06710 1/20 0.39
CDK5R1 Q15078 1/20 0.39
POLB P06746 1/20 0.39
CRBN Q96SW2 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL31415443 1.00 GAA (0.48) GAALMNAGRM5FPR2GRM4
SCHEMBL31231767 0.91 GAA (0.48) GAALMNAGRM5FPR2GRM4
SCHEMBL30714528 0.91 GAA (0.48) GAALMNAGRM5FPR2GRM4
SCHEMBL26252140 0.91 GAA (0.48) GAALMNAGRM5FPR2GRM4
SCHEMBL30599079 0.91 GAA (0.48) GAALMNAGRM5FPR2GRM4
SCHEMBL31415270 0.88 GAA (0.49) GAALMNAGRM5FPR2GRM4
SCHEMBL31415247 0.88 GAA (0.49) GAALMNAGRM5FPR2GRM4
SCHEMBL1839289 0.87 GAA (0.59) GAALMNAGRM5FPR2GRM4
SCHEMBL31231772 0.87 GAA (0.59) GAALMNAGRM5FPR2GRM4
SCHEMBL31231620 0.83 GAA (0.47) GAALMNAGRM5FPR2GRM4

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-2025054368-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-03-13 WO disclosed