SCHEMBL10502995

SCHEMBL10502995

CCOC(=O)OC1=C(C)Nc2cc[nH]c(=O)c2C1c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.47
TBXA2R P21731 3/20 0.39
ADRA1A P35348 3/20 0.39
SLC6A3 Q01959 3/20 0.39
HTR1A P08908 2/20 0.39
ADRA2A P08913 2/20 0.39
CHRM1 P11229 2/20 0.39
DRD1 P21728 2/20 0.39
SLC6A2 P23975 2/20 0.39
OPRM1 P35372 2/20 0.39
DRD3 P35462 2/20 0.39
KCNH2 Q12809 2/20 0.39
CACNA1C Q13936 2/20 0.39
ABCB11 O95342 2/20 0.39
ABCB1 P08183 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADRB3 P13945 2/20 0.39
OPRK1 P41145 2/20 0.39
SCN5A Q14524 2/20 0.39

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
SCHEMBL11001264 0.92 CYP2C9 (0.49) TSHRPOLBTBXA2RADRA1ASLC6A3
SCHEMBL10502213 0.88 GAA (0.40) TSHRPOLBCYP2C9CYP3A4CYP2C19
SCHEMBL11035332 0.87 DHFR (0.44) TSHRPOLBCYP2C9CYP3A4CYP2C19
SCHEMBL10789096 0.86 TSHR (0.58) TSHRPOLBTBXA2RADRA1ASLC6A3
SCHEMBL10503699 0.85 CACNA1F (0.41) CACNA1CCACNA1FCACNA1DCACNA1STP53
SCHEMBL10746130 0.85 ACHE (0.43) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10503110 0.84 CACNA1D (0.46) TSHRPOLBADRA1ADRD1OPRM1
SCHEMBL10502872 0.82 KDM4E (0.45) TSHRPOLBTBXA2RADRA1ASLC6A3
SCHEMBL10502956 0.82 KDM4E (0.51) CYP2C9CYP2C19LMNAALDH1A1KDM4E
SCHEMBL10502291 0.81 TSHR (0.37) TSHRTBXA2RADRA1ASLC6A3ABCB11

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-0133530-B1 1,6-NAPHTHYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICAMENTS CONTAINING THEM GÖDECKE AKTIENGESELLSCHAFT (DE) 1989-03-15 EP disclosed
EP-0133530-A2 1,6-Naphthyridinone derivatives, process for their preparation, and medicaments containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1985-02-27 EP disclosed