SCHEMBL4016519

SCHEMBL4016519

CCCC1=NC(C)N(c2ccc(OC(C)C)cc2)C=C1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 18/20 0.47
AGTR1 P30556 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
SCHEMBL4013363 0.95 SLC33A1 (0.46) SLC33A1
SCHEMBL4010608 0.94 AGTR1 (0.45) SLC33A1AGTR1
SCHEMBL4012172 0.93 SLC33A1 (0.44) SLC33A1
SCHEMBL4008051 0.92 SLC33A1 (0.47) SLC33A1AGTR1
SCHEMBL4016610 0.91 SLC33A1 (0.46) SLC33A1AGTR1
SCHEMBL4011145 0.87 SLC33A1 (0.46) SLC33A1
SCHEMBL4010001 0.87 SLC33A1 (0.36) SLC33A1AGTR1
SCHEMBL4012807 0.87 SLC33A1 (0.46) SLC33A1
SCHEMBL4010723 0.85 SLC33A1 (0.43) SLC33A1
SCHEMBL4018346 0.83 SLC33A1 (0.48) SLC33A1

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