SCHEMBL8934627

SCHEMBL8934627

CC(=O)N1CCN(CCc2ccc(NC3=NCCS3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.53
POLB P06746 1/20 0.43
NPY1R P25929 10/20 0.42
HRH3 Q9Y5N1 1/20 0.40
GAA P10253 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL8934491 0.80 POLB (0.48) AOC3POLBNPY1R
SCHEMBL8934611 0.80 POLB (0.48) AOC3POLBNPY1R
SCHEMBL12642630 0.72 HRH3 (0.55) POLBHRH3GAA
SCHEMBL9629092 0.72 POLB (0.55) AOC3POLBNPY1R
SCHEMBL8153546 0.71 THRB (0.63) POLBHRH3
SCHEMBL9629111 0.71 POLB (0.54) AOC3POLBNPY1R
SCHEMBL8934519 0.71 POLB (0.54) AOC3POLBNPY1RHRH3
SCHEMBL8934565 0.70 AOC3 (0.70) AOC3POLBNPY1RGAA
SCHEMBL9628041 0.70 POLB (0.53) AOC3POLBNPY1R
SCHEMBL9628458 0.70 POLB (0.53) AOC3POLBNPY1R

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
WO-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed