SCHEMBL7985869

SCHEMBL7985869

CC1CN(C(=O)OC(C)(C)C)CC(C)N1CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.50
OPRM1 P35372 1/20 0.50
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
STS P08842 1/20 0.44
NAMPT P43490 1/20 0.44
RORC P51449 1/20 0.43
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL7985865 1.00 SIGMAR1 (0.50) SIGMAR1OPRM1JAK2JAK1STS
SCHEMBL20046753 0.85 RARB (0.41) GPR119
SCHEMBL17086784 0.85 KMT2A (0.49) JAK2JAK1STSNAMPTRORC
SCHEMBL3151932 0.85 KMT2A (0.49) JAK2JAK1STSNAMPTRORC
SCHEMBL3151938 0.85 KMT2A (0.49) JAK2JAK1STSNAMPTRORC
SCHEMBL20046028 0.82 HRH3 (0.46) NAMPTGPR119
SCHEMBL20046352 0.82 HRH3 (0.46) NAMPTGPR119
SCHEMBL20046024 0.81 GPR119 (0.46) NAMPTGPR119
SCHEMBL8527336 0.81 SIGMAR1 (0.51) SIGMAR1OPRM1
SCHEMBL20046750 0.80 KCNJ1 (0.40) 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
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed