SCHEMBL1075684

SCHEMBL1075684

NC(=O)c1ccc2c(c1)C(OC1CCCCO1)N(C(N)=O)CC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.44
DRD2 P14416 3/20 0.44
HRH3 Q9Y5N1 1/20 0.37
HSD11B1 P28845 1/20 0.36
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
OPRM1 P35372 4/20 0.34
OPRK1 P41145 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1C3 P42330 1/20 0.34
CYP3A4 P08684 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
ENPP2 Q13822 1/20 0.33
GPR84 Q9NQS5 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
SCHEMBL1025531 0.71 HTR1D (0.36) DRD3DRD2HSD11B1HTR1DHTR1B
SCHEMBL12337449 0.67 GPR119 (0.45) OPRM1
SCHEMBL7015754 0.67 CHRNA7 (0.54) DRD3DRD2
Hydrochloric Acid SCHEMBL7015707 0.66 CHRNA7 (0.52) DRD3DRD2
SCHEMBL7389468 0.66 MEN1 (0.42) DRD3DRD2OPRM1OPRK1MEN1
SCHEMBL26452181 0.65 PARP10 (0.58) MEN1KMT2A
SCHEMBL19616093 0.65 OPRK1 (0.46) OPRM1OPRK1MEN1KMT2A
SCHEMBL12311988 0.65 PLG (0.58) DRD3DRD2OPRM1OPRK1ENPP2
SCHEMBL1791093 0.64 HRH3 (0.64) HRH3
SCHEMBL2278277 0.64 HDAC6 (0.44) HRH3

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-2274283-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-01-19 EP disclosed