SCHEMBL8948020

SCHEMBL8948020

CCOC(=O)c1cccc(NC(=O)NCc2c(-c3ccccc3)c3cc(Cl)ccc3c(=O)n2C)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
THRB P10828 1/20 0.51
DPP4 P27487 3/20 0.50
CCKBR P32239 1/20 0.49
NAMPT P43490 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.44
TACR1 P25103 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
SCHEMBL8948226 0.92 NAMPT (0.52) MAPTDPP4NAMPTTRPV1TACR1
SCHEMBL8948077 0.90 DPP4 (0.55) MAPTDPP4LMNATACR1
SCHEMBL8947979 0.89 DPP4 (0.54) MAPTDPP4LMNATACR1
SCHEMBL8947972 0.89 DPP4 (0.54) MAPTDPP4LMNATACR1
SCHEMBL8947977 0.87 DPP4 (0.52) MAPTTHRBDPP4LMNATACR1
SCHEMBL8947995 0.87 TACR1 (0.56) MAPTTHRBDPP4RXFP1TP53
SCHEMBL8947904 0.85 DPP4 (0.52) MAPTTHRBDPP4LMNATACR1
SCHEMBL8948130 0.83 DPP4 (0.52) MAPTTHRBDPP4LMNATP53
SCHEMBL8458434 0.83 DPP4 (0.52) DPP4TACR1
SCHEMBL8947984 0.83 DPP4 (0.53) MAPTTHRBDPP4LMNATP53

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
US-5527811-A CALCIUM- AND SUBSTANCE P RECEPTOR-ANTAGONIST ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-18 US disclosed
EP-0634402-A1 Isochinolinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1995-01-18 EP disclosed