SCHEMBL7380752

SCHEMBL7380752

CCOC(=O)C(=Cc1nc2ccc(C#N)cc2[nH]1)c1ccc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 10/20 0.51
GPR119 Q8TDV5 3/20 0.49
ALK Q9UM73 1/20 0.43
FASN P49327 1/20 0.39
CETP P11597 1/20 0.38
BACE1 P56817 2/20 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
SCHEMBL7380750 0.94 GPR119 (0.49) CHEK2GPR119ALKCETP
SCHEMBL7380746 0.94 GPR119 (0.49) CHEK2GPR119ALKCETP
SCHEMBL7388213 0.85 GPR119 (0.51) CHEK2GPR119ALKCETP
SCHEMBL7388215 0.85 GPR119 (0.51) CHEK2GPR119ALKCETP
SCHEMBL7390135 0.84 GPR119 (0.50) CHEK2GPR119ALKCETP
SCHEMBL7390133 0.84 GPR119 (0.50) CHEK2GPR119ALKCETP
SCHEMBL7387571 0.84 GPR119 (0.50) CHEK2GPR119ALKCETP
SCHEMBL7387569 0.84 GPR119 (0.50) CHEK2GPR119ALKCETP
SCHEMBL7387574 0.82 GPR119 (0.49) CHEK2GPR119ALKCETP
SCHEMBL7390227 0.80 GPR119 (0.49) CHEK2GPR119ALKCETP

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