SCHEMBL7819783

SCHEMBL7819783

CCOC(=O)C1(C)Oc2ccccc2N(C)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
GLA P06280 2/20 0.52
CTDSP1 Q9GZU7 2/20 0.49
NISCH Q9Y2I1 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
OPRM1 P35372 2/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RECQL P46063 2/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL8630786 0.86 ALDH1A1 (0.51) MAPTALDH1A1GLACTDSP1MEN1
SCHEMBL8632712 0.85 P2RX4 (0.48) MAPTALDH1A1GLACTDSP1NISCH
SCHEMBL8630231 0.85 P2RX4 (0.48) MAPTALDH1A1GLACTDSP1NISCH
SCHEMBL8630646 0.80 NISCH (0.47) MAPTALDH1A1NISCHCYP2C19KDM4E
SCHEMBL8630509 0.80 NISCH (0.47) MAPTALDH1A1NISCHCYP2C19KDM4E
SCHEMBL8627514 0.80 NISCH (0.47) MAPTALDH1A1NISCHCYP2C19KDM4E
SCHEMBL16804134 0.77 LMNA (0.44) MAPTALDH1A1GLACTDSP1KMT2A
SCHEMBL11735299 0.77 GLA (0.50) MAPTALDH1A1GLACTDSP1MEN1
SCHEMBL8631966 0.73 MAPT (0.56) MAPTALDH1A1GLACTDSP1MEN1
SCHEMBL11277121 0.72 MAPT (0.44) MAPTALDH1A1GLACTDSP1OPRM1

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-0894796-B1 Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists ADIR (FR) 2001-06-06 EP disclosed
US-6057317-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 2000-05-02 US disclosed
EP-0894796-A1 Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists ADIR ET COMPAGNIE (FR) 1999-02-03 EP disclosed