SCHEMBL11464909

SCHEMBL11464909

CC(=O)N1CC2(CCCCCC2)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
NOTUM Q6P988 5/20 0.35
USP19 O94966 1/20 0.33
GRM5 P41594 3/20 0.32
CYP3A4 P08684 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP2C19 P33261 1/20 0.32
CYP2D6 P10635 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HSD11B1 P28845 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3078624 0.77 BUB1 (0.37) SMN1; SMN2HSD11B1
Hydrochloric Acid SCHEMBL21225114 0.76 GRM5 (0.33) SMN1; SMN2USP19GRM5HSD11B1ALDH1A1
SCHEMBL21246355 0.76 USP19 (0.36) SMN1; SMN2USP19GRM5
SCHEMBL3733841 0.75 KDM1A (0.38) SMN1; SMN2
SCHEMBL13803813 0.74 USP19 (0.41) SMN1; SMN2USP19GRM5
SCHEMBL21246350 0.73 USP19 (0.34) SMN1; SMN2USP19GRM5
SCHEMBL21225110 0.73 GRM5 (0.32) SMN1; SMN2GRM5
SCHEMBL25275893 0.72 ITGB3 (0.30)
SCHEMBL5336354 0.72 SMN1; SMN2 (0.36) SMN1; SMN2USP19GRM5
SCHEMBL12243268 0.72 CYP11B1 (0.44) SMN1; SMN2USP19GRM5

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
US-4228179-A ANTICONVULSANTS WARNER-LAMBERT COMPANY (US) 1980-10-14 US disclosed