SCHEMBL7986159

SCHEMBL7986159

CCCc1ccc2c(c1N1CCN(c3ccccc3)CC1)C(=O)NC2=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.42
DRD2 P14416 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHRNA7 P36544 2/20 0.39
GFER P55789 1/20 0.38
POLB P06746 1/20 0.36
NR3C1 P04150 1/20 0.36
PTGS2 P35354 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HTR1A P08908 1/20 0.34

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
SCHEMBL7986396 0.86 DRD4 (0.44) DRD2SIGMAR1GAAMAPTDRD4
SCHEMBL27468194 0.84 TNKS2 (0.46) PTGS2MAPT
SCHEMBL6200943 0.80 OPRM1 (0.40)
SCHEMBL7983801 0.80 ALDH1A1 (0.42)
SCHEMBL4910773 0.78 WEE1 (0.38) GAAMAPT
SCHEMBL29614674 0.76 PARP1 (0.43) MAPT
SCHEMBL6644399 0.75 HTR7 (0.37) DHFRDRD2DRD3HTR1A
SCHEMBL7986154 0.70 HTR1A (0.53) DRD2SIGMAR1DRD4DRD3HTR1A
Hydrochloric Acid SCHEMBL31491097 0.69 PRKACA (0.40) SIGMAR1
SCHEMBL7983420 0.69 HTR1A (0.55) DRD2SIGMAR1DRD4DRD3HTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed