SCHEMBL4011200

SCHEMBL4011200

CCCC1N=C(CC)C(c2ccc(OCC)nc2)=CN1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.42
SLC33A1 O00400 7/20 0.40
PPARG P37231 2/20 0.40

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
SCHEMBL4010282 0.84 PPARG (0.43) LTB4R2PPARG
SCHEMBL4016033 0.77 AGTR1 (0.49) LTB4R2SLC33A1PPARG
SCHEMBL4016474 0.76 PPARG (0.45) LTB4R2SLC33A1PPARG
SCHEMBL4017111 0.75 AGTR1 (0.40) SLC33A1PPARG
SCHEMBL4011196 0.73 PPARG (0.48) SLC33A1PPARG
SCHEMBL1893953 0.73 AGTR1 (0.56) PPARG
SCHEMBL4016392 0.72 PPARG (0.47) LTB4R2PPARG
SCHEMBL4158457 0.70 LTB4R2 (0.45) LTB4R2SLC33A1PPARG
SCHEMBL4014474 0.69 LTB4R2 (0.49) LTB4R2PPARG
SCHEMBL12348453 0.68 LTB4R2 (0.58) LTB4R2SLC33A1

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