SCHEMBL9558762

SCHEMBL9558762

C[C@@H](CN)NC(=O)C1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
ACACB O00763 4/20 0.39
CTSL P07711 2/20 0.37
CTSS P25774 2/20 0.37
TSHR P16473 1/20 0.36
PIK3CD O00329 2/20 0.36
CTSK P43235 1/20 0.35
KDM4E B2RXH2 1/20 0.35
BRPF1 P55201 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL9558751 1.00 SMN1; SMN2 (0.49) SMN1; SMN2GAAALDH1A1HTTACACB
SCHEMBL18714404 0.84 SMN1; SMN2 (0.65) SMN1; SMN2GAAALDH1A1HTTACACB
SCHEMBL18714403 0.80 SMN1; SMN2 (0.47) SMN1; SMN2GAAALDH1A1HTTACACB
SCHEMBL12448285 0.80 SMN1; SMN2 (0.51) SMN1; SMN2GAAHTTCTSLCTSS
SCHEMBL10533352 0.77 CTSL (0.36) SMN1; SMN2ACACBCTSLCTSSTSHR
SCHEMBL24571405 0.77 SMN1; SMN2 (0.42) SMN1; SMN2GAAALDH1A1HTTACACB
SCHEMBL24568222 0.77 SMN1; SMN2 (0.42) SMN1; SMN2GAAALDH1A1HTTACACB
SCHEMBL47355 0.76 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL3634427 0.76 SMN1; SMN2 (0.46) SMN1; SMN2GAAHTTACACBCTSL
SCHEMBL13127953 0.75 SMN1; SMN2 (0.41) SMN1; SMN2GAAALDH1A1HTTACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5242943-A Administering as beta adrenoceptor blocking agents Louis, William J. (AU) 1993-09-07 US disclosed
US-5051445-A Cardiovascular disorders such as antiarrhythmia or cardiotonic agents, adrenergic blocking agents Louis, William J. (AU) 1991-09-24 US disclosed
EP-0177515-B1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Louis, William John (AU) 1989-05-31 EP disclosed
EP-0177515-A4 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ LTD (CH) 1986-09-23 EP disclosed
EP-0177515-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ LTD (CH) 1986-04-16 EP disclosed
WO-1985004403-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ LTD. (CH) 1985-10-10 WO disclosed