SCHEMBL11200519

SCHEMBL11200519

CNC(=O)N1CCN(CCCl)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.35
FAAH O00519 3/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 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
SCHEMBL12788692 0.82 POLB (0.64) POLBKMT2AALDH1A1CYP2C19KDM4E
SCHEMBL11024699 0.81 POLB (0.52) POLBKMT2AALDH1A1FAAHCYP2C19
SCHEMBL657440 0.79 POLB (0.59) POLBKMT2AHTTFAAHNPSR1
SCHEMBL11024979 0.79 SMN1; SMN2 (0.53) POLBHTTALDH1A1DRD2DRD3
SCHEMBL13176215 0.78 POLB (1.00) POLBKMT2AHTTALDH1A1KDM4E
SCHEMBL25603604 0.78 POLB (0.57) POLBKMT2AFAAHDRD2DRD3
SCHEMBL22892752 0.78 POLB (0.57) POLBKMT2AHTTFAAHCYP2C19
SCHEMBL8418345 0.78 POLB (0.70) POLBKMT2AALDH1A1KDM4E
SCHEMBL296688 0.78 CYP1A2 (0.54) KMT2AALDH1A1KDM4EDRD3
SCHEMBL6316085 0.77 CYP2D6 (0.42) POLBKMT2AHTTALDH1A1NPSR1

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-4405623-A HYPOTENSIVE AGENTS, VASODILATORS MASAYUKI ISHIKAWA (JP) 1983-09-20 US disclosed
EP-0040793-A1 Novel quinazoline-dione compounds, process for production thereof and pharmaceutical use thereof Ishikawa, Masayuki (JP) 1981-12-02 EP disclosed