SCHEMBL8534898

SCHEMBL8534898

COc1cc2cccnc2cc1C1CC2CCC(C1)N2C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.54
PDGFRA P16234 1/20 0.54
IRAK1 P51617 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
PDE10A Q9Y233 3/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
KRAS P01116 1/20 0.36
SOS1 Q07889 1/20 0.36

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
SCHEMBL30152672 0.79 PDGFRB (0.66) PDGFRBPDGFRAIRAK1IRAK4PDE10A
SCHEMBL1177940 0.72 PSMD14 (0.41)
SCHEMBL1177937 0.72 PSMD14 (0.41)
SCHEMBL4299023 0.72 PDGFRB (1.00) PDGFRBPDGFRAPDE10A
SCHEMBL8532772 0.71 HTR2C (0.54) SLC6A2SLC6A3
SCHEMBL7356168 0.71 HTR1A (0.46) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL29357672 0.70 PDGFRB (0.96) PDGFRBPDGFRAPDE10A
SCHEMBL1178222 0.70 SLC6A2 (0.54) PDE10ASLC6A2SLC6A3PDE3BPDE3A
SCHEMBL1178224 0.70 SLC6A2 (0.54) PDE10ASLC6A2SLC6A3PDE3BPDE3A
SCHEMBL8536319 0.70 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3

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-0819126-A1 BIPHENYLAMIDE DERIVATIVES AS 5HT 1D? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-01-21 EP disclosed
WO-1996031508-A1 BIPHENYLAMIDE DERIVATIVES AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-10-10 WO disclosed