SCHEMBL7429108

SCHEMBL7429108

[CH2]CC(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
TDO2 P48775 2/20 0.50
CHRNA7 P36544 1/20 0.47
CNR1 P21554 1/20 0.45
TSHR P16473 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
SCN4A P35499 2/20 0.43
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
BCL2 P10415 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL4635178 0.93 TSHR (0.44) IDO1TDO2CHRNA7CNR1TSHR
SCHEMBL94275 0.85 HTR2A (0.52) TSHRHTR2ATAAR1TDP1CHRNB2
SCHEMBL28759613 0.83 KMT2A (0.46) IDO1TDO2CHRNA7CNR1TSHR
SCHEMBL8324166 0.81 ACP3 (0.47) IDO1TDO2SLC6A2SLC6A4CACNA2D1
SCHEMBL8326192 0.79 SLC6A2 (0.50) IDO1TDO2TSHRSLC6A2SLC6A4
SCHEMBL2124049 0.78 IDO1 (0.56) IDO1TDO2CHRNA7TSHRSLC6A2
SCHEMBL7431436 0.78 SLC6A2 (0.62) TSHRSLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL463414 0.77 IDO1 (0.50) IDO1TDO2CHRNA7CNR1TSHR
SCHEMBL21068075 0.77 HTR2A (0.73) IDO1TDO2CHRNA7TSHRSCN4A
SCHEMBL1979244 0.77 HTR2A (0.73) IDO1TDO2CHRNA7TSHRSCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0448765-B1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1994-08-17 EP claimed
EP-0448765-A1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1991-10-02 EP claimed
CN-1239472-C HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2006-02-01 CN disclosed
CN-1441775-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2003-09-10 CN disclosed
EP-0448765-B1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1994-08-17 EP disclosed
EP-0448765-A1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1991-10-02 EP disclosed