SCHEMBL12468883

SCHEMBL12468883

CCCCOC(=O)N1CC[C@H](C2CO2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HSD11B1 P28845 2/20 0.40
GBA2 Q9HCG7 1/20 0.39
PDE4B Q07343 1/20 0.37
GAA P10253 1/20 0.37
GNAI3 P08754 5/20 0.36
GNAO1 P09471 5/20 0.36
GNAI1 P63096 5/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL12468881 1.00 SMN1; SMN2 (0.51) SMN1; SMN2LMNAPOLBHSD11B1GBA2
SCHEMBL12468318 1.00 SMN1; SMN2 (0.51) SMN1; SMN2LMNAPOLBHSD11B1GBA2
SCHEMBL27482014 0.80 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPOLBGBA2PDE4B
SCHEMBL27995347 0.80 POLB (0.57) SMN1; SMN2LMNAPOLBGBA2PDE4B
SCHEMBL29358914 0.80 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBHSD11B1GBA2
SCHEMBL3708900 0.78 LMNA (0.54) SMN1; SMN2LMNAPOLBGBA2PDE4B
SCHEMBL2778566 0.78 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPOLBHSD11B1GBA2
SCHEMBL3652385 0.78 LMNA (0.54) SMN1; SMN2LMNAPOLBGBA2PDE4B
SCHEMBL22440438 0.78 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPOLBHSD11B1GBA2
SCHEMBL3652388 0.78 LMNA (0.54) SMN1; SMN2LMNAPOLBGBA2PDE4B

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
EP-2627630-A1 SEROTONIN REUPTAKE INHIBITORS Theravance, Inc. (US) 2013-08-21 EP disclosed
WO-2012051103-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-04-19 WO disclosed