Sugi Predict

Sugi Predict / Compounds / SCHEMBL4016033

SCHEMBL4016033

SCHEMBL4016033

CCCC1N=C(CC)C(C(=O)N2CCOCC2)=CN1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 6/20 0.49
▸ SLC33A1 O00400 3/20 0.45
▸ LTB4R2 Q9NPC1 1/20 0.43
▸ PPARG P37231 3/20 0.42
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL4011200 0.77 LTB4R2 (0.42) SLC33A1LTB4R2PPARG
SCHEMBL4010282 0.76 PPARG (0.43) AGTR1LTB4R2PPARGKCNH2
SCHEMBL4017111 0.74 AGTR1 (0.40) AGTR1SLC33A1PPARG
SCHEMBL4016028 0.73 AGTR1 (0.52) AGTR1SLC33A1PPARG
SCHEMBL1888375 0.73 AGTR1 (0.62) AGTR1PPARGKCNH2
SCHEMBL4016474 0.71 PPARG (0.45) AGTR1SLC33A1LTB4R2PPARGKCNH2
SCHEMBL4014474 0.70 LTB4R2 (0.49) AGTR1LTB4R2PPARGKCNH2
SCHEMBL13277715 0.69 AGTR1 (0.63) AGTR1PPARGKCNH2
SCHEMBL1895131 0.69 AGTR1 (0.63) AGTR1SLC33A1PPARGKCNH2
SCHEMBL4158457 0.68 LTB4R2 (0.45) AGTR1SLC33A1LTB4R2PPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 — — EP disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 — — WO disclosed