SCHEMBL5596735

SCHEMBL5596735

O=C(O)N1CCCC(N2CCc3cnc(Cl)c4cccc2c34)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
MAPT P10636 6/20 0.36
LMNA P02545 4/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 6/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
BTK Q06187 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5596748 0.87 HTR6 (0.41) BTK
SCHEMBL5596780 0.81 TNF (0.43) LMNATP53KMT2AMEN1
SCHEMBL5596727 0.79 SCN9A (0.39) ALDH1A1
SCHEMBL5596782 0.78 HTR2C (0.43)
SCHEMBL5596618 0.78 BRD4 (0.42)
SCHEMBL5415547 0.77 HTR2C (0.44)
SCHEMBL5596820 0.77 OPRM1 (0.34) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5596834 0.77 OPRM1 (0.32) ALDH1A1
SCHEMBL5597044 0.76 SCN9A (0.42) BTK
SCHEMBL5596795 0.75 HTR2C (0.44)

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
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed