SCHEMBL6593704

SCHEMBL6593704

O=Cc1ccc(OCC2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
GRIN2B Q13224 11/20 0.54
CYP2C19 P33261 1/20 0.54
CYP2D6 P10635 4/20 0.51
CYP2C9 P11712 4/20 0.51
CYP3A4 P08684 3/20 0.50
FAAH O00519 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.47
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL9760056 0.86 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL13450952 0.86 GRIN2B (0.71) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL24493181 0.86 GRIN2B (0.54) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL30578238 0.86 GRIN2B (0.54) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL5782257 0.85 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL13168269 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL6596647 0.84 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL13439706 0.83 GRIN2B (0.61) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL6595873 0.83 GPR119 (0.66) GPR119
SCHEMBL6595876 0.83 GPR119 (0.66) GPR119

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-0981526-B1 NOVEL ANTIDIABETIC COMPOUNDS HAVING HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2004-02-25 EP disclosed
EP-0981526-A1 NOVEL ANTIDIABETIC COMPOUNDS HAVING HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-03-01 EP disclosed
WO-1997041119-A1 NOVEL ANTIDIABETIC COMPOUNDS HAVING HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-11-06 WO disclosed