SCHEMBL9681514

SCHEMBL9681514

CC(C)(C)C(c1ccccc1)c1ccc(I)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.37
RIPK1 Q13546 2/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC6A2 P23975 2/20 0.35
PDPK1 O15530 1/20 0.35
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
AOC3 Q16853 1/20 0.33
CACNA1F O60840 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
OPRK1 P41145 1/20 0.33
CACNA1D Q01668 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5029899 0.86 RIPK1 (0.43) SLC6A4RIPK1SLC6A3SLC6A2ATM
SCHEMBL19117766 0.78 TSHR (0.52) SLC6A4SLC6A3SLC6A2KDM4ECHRM2
SCHEMBL409949 0.78 TSHR (0.52) SLC6A4SLC6A3SLC6A2KDM4ECHRM2
SCHEMBL30288156 0.78 ESR1 (0.52) SLC6A3SLC6A2CHRM2CHRM1ADRA1A
SCHEMBL12084095 0.75 ACP3 (0.51) SLC6A4SLC6A3SLC6A2PDPK1KDM4E
SCHEMBL14160147 0.75 ESR1 (0.44) SLC6A4PDPK1KDM4ETAAR1
SCHEMBL30265787 0.74 ATM (0.38) SLC6A4RIPK1SLC6A3SLC6A2ATM
SCHEMBL28944521 0.74 RIPK1 (0.35) SLC6A4RIPK1SLC6A3SLC6A2ATM
SCHEMBL21029362 0.74 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2PDPK1ATM
SCHEMBL9440541 0.74 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2PDPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0488602-A1 Aryl derivatives ZENECA LIMITED (GB) 1992-06-03 EP disclosed