SCHEMBL6644353

SCHEMBL6644353

O=c1c(NC2CCN(CCc3coc4ccccc34)CC2)c(N2CCc3ccccc32)c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.38
SIGMAR1 Q99720 2/20 0.38
MAOB P27338 1/20 0.37
SLC6A4 P31645 2/20 0.37
GPR6 P46095 1/20 0.36
DRD2 P14416 7/20 0.35
HTR2A P28223 6/20 0.35
DRD3 P35462 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL6643557 0.84 HTR1A (0.42) HTR1AMAOBSLC6A4DRD2HTR2A
SCHEMBL6642667 0.80 SIGMAR1 (0.44) HTR1ASIGMAR1MAOBDRD2HTR2A
SCHEMBL5568960 0.77 NPC1 (0.55) MAOBDRD2HTR2ADRD3SMN1; SMN2
SCHEMBL6642758 0.76 KDM4E (0.48) HTR1ASIGMAR1MAOBSLC6A4DRD2
SCHEMBL6641570 0.76 DRD2 (0.45) HTR1ASIGMAR1MAOBSLC6A4DRD2
SCHEMBL5563913 0.75 TSHR (0.57) MAOBDRD2HTR2ADRD3SMN1; SMN2
SCHEMBL6641567 0.74 DRD2 (0.47) HTR1ASIGMAR1MAOBDRD2HTR2A
SCHEMBL5568634 0.73 NPC1 (0.53) MAOBDRD2HTR2ADRD3SMN1; SMN2
SCHEMBL6214213 0.72 DRD2 (0.50) HTR1ASIGMAR1SLC6A4GPR6DRD2
SCHEMBL5569638 0.71 TSHR (0.54) MAOBDRD2HTR2ADRD3SMN1; SMN2

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-1197485-B1 Cyclobuten-dione derivatives for use in the treatment of artherosclerosis SERVIER LAB (FR) 2004-08-11 EP disclosed
EP-1197485-A1 Cyclobuten-dione derivatives for use in the treatment of artherosclerosis Les Laboratoires Servier (FR) 2002-04-17 EP disclosed