SCHEMBL5780475

SCHEMBL5780475

CN1CCC2(CC1)SCC(=O)N2CCc1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR2A P28223 2/20 0.48
HTR6 P50406 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTR1A P08908 2/20 0.45
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SNCA P37840 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
SLC6A4 P31645 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL6614882 0.82 HTR2A (0.51) RAB9ASMN1; SMN2HTR2AHTR6MEN1
SCHEMBL4868338 0.79 HTR2A (0.47) RAB9ASMN1; SMN2HTR2AHTR6MEN1
SCHEMBL6613217 0.74 MAPT (0.53) SMN1; SMN2HTR2AMEN1KMT2AMAPT
SCHEMBL13990242 0.74 HTR1A (0.48) HTR2AHTR6MAPTHTR1ADRD2
SCHEMBL6613491 0.72 CCR5 (0.55)
SCHEMBL6617413 0.72 CXCR3 (0.53) SMN1; SMN2HTR2AMEN1KMT2AMAPT
SCHEMBL735143 0.72 HTR2A (0.78) HTR2AHTR6HTR1ADRD2DRD4
SCHEMBL14106331 0.72 RAB9A (0.62) RAB9ASMN1; SMN2HTR2AHTR6MEN1
SCHEMBL6612974 0.71 DRD2 (0.55) RAB9ASMN1; SMN2HTR2AHTR6MEN1
SCHEMBL6034909 0.71 HTR2A (0.45) RAB9ASMN1; SMN2HTR2AHTR6MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507765-A4 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INST BIOLOG RES (IL) 2006-11-02 EP claimed
EP-1507765-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2005-02-23 EP claimed
WO-2003092580-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2003-11-13 WO claimed