SCHEMBL8947904

SCHEMBL8947904

CCOC(=O)c1ccccc1NC(=O)NCc1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.52
MAPT P10636 2/20 0.45
TACR1 P25103 1/20 0.44
CSF1R P07333 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP1A2 P05177 1/20 0.43
XBP1 P17861 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.42
MAPK8 P45983 1/20 0.42
POLB P06746 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
SCHEMBL8947970 0.89 DPP4 (0.57) DPP4TACR1KDM4EMAPK8
SCHEMBL8947947 0.89 DPP4 (0.56) DPP4TACR1KDM4EMAPK8
SCHEMBL8947956 0.89 DPP4 (0.56) DPP4TACR1KDM4EMAPK8
SCHEMBL8947953 0.87 DPP4 (0.54) DPP4TACR1MAPK8
SCHEMBL8948226 0.86 NAMPT (0.52) DPP4MAPTTACR1CSF1RALDH1A1
SCHEMBL8948020 0.85 MAPT (0.51) DPP4MAPTTACR1LMNATHRB
SCHEMBL8947680 0.81 DPP4 (0.53) DPP4TACR1MAPK8
SCHEMBL8947817 0.80 DPP4 (0.55) DPP4TACR1KDM4ELMNATHRB
SCHEMBL8947995 0.80 TACR1 (0.56) DPP4MAPTTACR1ALDH1A1KDM4E
SCHEMBL8947848 0.79 DPP4 (0.57) DPP4MAPTTACR1MAPK8

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