SCHEMBL9790049

SCHEMBL9790049

CCOC(=O)N1CC[C@@H](N)[C@H](OC)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
CHRM1 P11229 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 4/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PDE4B Q07343 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.39

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
SCHEMBL400027 1.00 GAA (0.51) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL9790042 1.00 GAA (0.51) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL595032 1.00 GAA (0.51) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL595031 1.00 GAA (0.51) GAANOS3NOS2CHRM1L3MBTL1
Hydrochloric Acid SCHEMBL4762541 0.98 GAA (0.50) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL403641 0.88 GAA (0.51) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL9721727 0.88 GAA (0.51) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL405104 0.88 GAA (0.51) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL20599062 0.87 SMN1; SMN2 (0.47) GAANOS3NOS2CHRM1L3MBTL1
SCHEMBL30863789 0.85 CHRNB2 (0.40) GAATSHRPDE4B

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
US-4990521-A Treating diarhea JANSSEN PHARMACEUTICA (BE) 1991-02-05 US disclosed
EP-0251417-A2 4-(aroylamino) piperidinebutanamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-01-07 EP disclosed