SCHEMBL8415261

SCHEMBL8415261

CCOC(=O)N[C@@H](C)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACACB O00763 1/20 0.36
ALOX15 P16050 1/20 0.36
KCNK3 O14649 1/20 0.36
THRB P10828 1/20 0.36
CNR2 P34972 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SOAT1 P35610 1/20 0.36
CYP1A2 P05177 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
SCHEMBL11187380 1.00 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTGAAMGAM
SCHEMBL13681856 1.00 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTGAAMGAM
SCHEMBL3896933 0.84 MMP1 (0.47) SMN1; SMN2LMNAHTTGAAMGAM
SCHEMBL12311393 0.83 HRH3 (0.40) LMNAMAPK1
SCHEMBL26198820 0.83 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTGAAMGAM
SCHEMBL26198819 0.83 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTGAAMGAM
SCHEMBL9357904 0.81 HRH3 (0.45) SMN1; SMN2LMNAHTTMAPK1
SCHEMBL15961737 0.81 HRH3 (0.47) SMN1; SMN2LMNAHTTGAAMGAM
SCHEMBL8141702 0.81 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTGAAMGAM
SCHEMBL5674818 0.81 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTMAPK1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589220-B2 Enzyme inhibitors for anandamide transporter and pharmacological use with urea, amide, thiourea or other groups UNIVERSITY OF CONNECTICUT (US) 2009-09-15 US disclosed
EP-0939077-A2 3-Substituted 1-arylindole compounds as 5-HT2 antagonists H. LUNDBECK A/S (DK) 1999-09-01 EP disclosed
US-5789404-A CENTRAL NERVOUS SYSTEM DISORDERS AND ANTISEROTONIN AGENTS H. LUNDBECK A/S (DK) 1998-08-04 US disclosed
EP-0053015-A1 1-Phenylthio-2-aminopropane derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-02 EP disclosed