SCHEMBL7386066

SCHEMBL7386066

CCOC(=O)C(C(=O)OCC)c1ccc(OCC2=NCCN2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 9/20 0.53
▸ MAOA P21397 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ ADRA1A P35348 6/20 0.46
▸ ADRA1D P25100 3/20 0.46
▸ ADRA1B P35368 3/20 0.46
▸ HTR1A P08908 3/20 0.43
▸ ADRA2A P08913 3/20 0.43
▸ ADRA2B P18089 3/20 0.43
▸ ADRA2C P18825 3/20 0.43
▸ MAPT P10636 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 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
SCHEMBL3168948 0.75 NISCH (0.73) NISCHMAOAMAOBADRA1AADRA1D
SCHEMBL10719216 0.75 NQO1 (0.52) —
SCHEMBL2716599 0.72 LMNA (0.68) MAOB
SCHEMBL8469779 0.72 ADRA1A (0.47) NISCHMAOAMAOBADRA1AADRA1D
SCHEMBL271585 0.72 MMP8 (0.59) MAOA
SCHEMBL6710817 0.71 NISCH (0.71) NISCHMAOAMAOBADRA1AADRA1D
SCHEMBL28462964 0.71 SMN1; SMN2 (0.64) —
SCHEMBL546875 0.71 NISCH (1.00) NISCHMAOAMAOBADRA1AADRA1D
Hydrochloric Acid SCHEMBL11251146 0.70 NISCH (0.69) NISCHMAOAMAOBADRA1AADRA1D
SCHEMBL11255453 0.70 NISCH (0.69) NISCHMAOAMAOBADRA1AADRA1D

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-5620991-A ANTICOAGULANTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 — — US disclosed
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 — — US disclosed
EP-0540051-B1 Aromatic amidine derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1996-04-03 — — EP disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 — — EP disclosed
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