SCHEMBL8876579

SCHEMBL8876579

CC(C)Cn1nc(C(N)=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.51
CFD P00746 9/20 0.50
PARP1 P09874 1/20 0.49
CNR1 P21554 6/20 0.48
CNR2 P34972 2/20 0.48
SCN9A Q15858 1/20 0.45
HTR3A P46098 1/20 0.45

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
SCHEMBL31429288 0.87 TSHR (0.52) ELANECNR1CNR2HTR3A
SCHEMBL24247716 0.87 ALDH1A1 (0.48) ELANECFDCNR1CNR2HTR3A
SCHEMBL19236682 0.87 ELANE (0.52) ELANECFDPARP1CNR1CNR2
SCHEMBL1606609 0.87 TSHR (0.52) ELANECNR1CNR2HTR3A
SCHEMBL6954629 0.85 HTR3A (0.47) CNR1CNR2HTR3A
SCHEMBL12862589 0.84 PKM (0.51)
SCHEMBL8877216 0.83 ELANE (0.55) ELANECFDPARP1CNR1CNR2
SCHEMBL31429442 0.83 ELANE (0.56) ELANECNR1CNR2HTR3A
SCHEMBL15687579 0.83 ELANE (0.56) ELANECNR1CNR2HTR3A
SCHEMBL28079256 0.81 ELANE (0.56) ELANECFDPARP1CNR1CNR2

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-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 US disclosed