SCHEMBL9286227

SCHEMBL9286227

C=C[C@H]1CCN(C(=O)OCCCC)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 2/20 0.38
GBA2 Q9HCG7 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
PDE4B Q07343 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP3 P08254 2/20 0.35
MMP9 P14780 2/20 0.35
MMP13 P45452 2/20 0.35
MMP2 P08253 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
SCHEMBL12468367 0.87 SMN1; SMN2 (0.50) SMN1; SMN2LMNAPOLBHPGDTSHR
SCHEMBL12468857 0.87 SMN1; SMN2 (0.50) SMN1; SMN2LMNAPOLBHPGDTSHR
SCHEMBL11130437 0.83 LMNA (0.46) SMN1; SMN2LMNAPOLBTSHRCHRM2
SCHEMBL5500990 0.81 LMNA (0.56) SMN1; SMN2LMNAPOLBHPGDTSHR
SCHEMBL3652388 0.79 LMNA (0.54) SMN1; SMN2LMNAPOLBHPGDCHRM2
SCHEMBL3708900 0.79 LMNA (0.54) SMN1; SMN2LMNAPOLBHPGDCHRM2
SCHEMBL3652385 0.79 LMNA (0.54) SMN1; SMN2LMNAPOLBHPGDCHRM2
SCHEMBL22440438 0.79 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPOLBHPGDCHRM2
SCHEMBL2778566 0.79 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPOLBHPGDTSHR
SCHEMBL8376529 0.79 LMNA (0.41) SMN1; SMN2LMNAPOLBTSHRCHRM2

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 3 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-2012075239-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-06-07 WO disclosed
WO-2012051103-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-04-19 WO disclosed