SCHEMBL8522381

SCHEMBL8522381

COc1ccc2c(ccc(=O)n2CCCl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43
PDE5A O76074 1/20 0.43
SCN7A Q01118 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
GRM2 Q14416 1/20 0.42
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSTP1 P09211 1/20 0.41
HTR2C P28335 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL4049057 0.83 GRIK1 (0.55) KMT2AMTNR1AMTNR1BPDE5AGRIK1
SCHEMBL28979220 0.82 PDE5A (0.62) KMT2APDE5AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2797929 0.79 KMT2A (0.48) KMT2AMTNR1AMTNR1BPDE5AGRM2
SCHEMBL8368861 0.78 PTGS1 (0.50) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6074279 0.78 BRPF1 (0.59) KMT2AMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL8366395 0.77 MAPT (0.52) KMT2AMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL4055635 0.77 GRIK1 (0.46) MTNR1AMTNR1BGRIK1GRIK2KDM4E
SCHEMBL4056506 0.75 ALDH1A1 (0.45) MTNR1AMTNR1BGRIK1GRIK2KDM4E
SCHEMBL3817124 0.75 HTR2C (0.59) KMT2AMTNR1AMTNR1BKDM4EL3MBTL1
SCHEMBL2799788 0.75 KMT2A (0.44) KMT2AMTNR1AMTNR1BPDE5AGRIK1

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-0850235-B1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SANOFI SYNTHELABO (FR) 1999-12-01 EP disclosed