SCHEMBL5728647

SCHEMBL5728647

Cc1ccc(CC=O)c(C2CCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
SRC P12931 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
GAA P10253 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
NAMPT P43490 1/20 0.32
PSMB5 P28074 1/20 0.31
HTR2A P28223 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7943104 0.80 PTGDR2 (0.50) PTGDR2NPC1RAB9ACHRNB2CHRNA4
SCHEMBL2442841 0.76 PTGDR2 (0.41) PTGDR2NPC1RAB9ADRD3
SCHEMBL16954238 0.75 MAPT (0.42) PTGDR2SRCCHRNB2CHRNA4DRD2
SCHEMBL10225712 0.75 JAK2 (0.34) PTGDR2PSMB5HTR2AKMT2A
SCHEMBL1515856 0.75 PTGDR2 (0.43) PTGDR2NPC1RAB9A
SCHEMBL2446792 0.75 PTGDR2 (0.43) PTGDR2NPC1RAB9A
SCHEMBL10224939 0.73 JAK2 (0.35) PTGDR2PSMB5HTR2A
SCHEMBL2578360 0.72 SRC (0.40) SRCKMT2A
SCHEMBL19308494 0.71 PTGDR2 (0.47) PTGDR2NPC1RAB9ACHRNB2CHRNA4
SCHEMBL2561411 0.71 SRC (0.42) NPC1RAB9ASRCGAAHTT

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
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed