SCHEMBL11864697

SCHEMBL11864697

COC(c1ccc(F)cc1)c1ccc(F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.41
TDO2 P48775 3/20 0.41
SLC6A3 Q01959 4/20 0.36
CHRM1 P11229 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 2/20 0.36
DRD3 P35462 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH1 P35367 1/20 0.36
TRPC5 Q9UL62 1/20 0.36
APLNR P35414 1/20 0.36
AOC3 Q16853 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 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
SCHEMBL11870346 0.89 APLNR (0.39) IDO1TDO2APLNR
SCHEMBL31395293 0.83 IDO1 (0.49) IDO1TDO2SLC6A3SLC6A2SLC6A4
SCHEMBL500056 0.78 APLNR (0.39) IDO1TDO2TRPC5APLNR
SCHEMBL792136 0.77 IDO1 (0.58) IDO1TDO2SLC6A3CHRM1SLC6A2
SCHEMBL11867787 0.73 HDAC3 (0.36) IDO1TDO2SLC6A3SLC6A2SLC6A4
SCHEMBL9072518 0.71 APLNR (0.39) CHRM1SLC6A2CYP1A2APLNR
SCHEMBL27568024 0.70 APLNR (0.38) APLNR
SCHEMBL11857823 0.69 APLNR (0.44) APLNR
SCHEMBL1337142 0.69 PKM (0.35) IDO1TDO2CYP1A2APLNR
SCHEMBL29890715 0.69 PKM (0.35) IDO1TDO2CYP1A2APLNR

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
US-3959475-A ANTIDEPRESSANT, TRANQUILIZER, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1976-05-25 US disclosed