SCHEMBL7746063

SCHEMBL7746063

CN(C)CCn1c(CN2C(=O)/C(=N/OCc3ccc(S(C)(=O)=O)cc3)c3cc(F)ccc32)nc2ccc(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
TBXA2R P21731 1/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 2/20 0.34
TDO2 P48775 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
CNR2 P34972 5/20 0.32
CASP3 P42574 2/20 0.32
CASP7 P55210 2/20 0.32
PTGS2 P35354 1/20 0.32
MAOA P21397 1/20 0.32
CHRM5 P08912 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL7741233 0.89 TBXA2R (0.34) TBXA2RCA1CA2CA9CA12
SCHEMBL7741250 0.87 AGTR1 (0.36) IDO1TBXA2RCNR2
SCHEMBL7745955 0.83 TBXA2R (0.41) TBXA2RCA1CA2CA9CA12
SCHEMBL7741627 0.81 CNR2 (0.38) IDO1TBXA2RCNR2CNR1
SCHEMBL7745380 0.81 TBXA2R (0.39) TBXA2RCA1CA2CA9CA12
SCHEMBL7741615 0.77 CNR2 (0.42) TBXA2RCNR2CHRM5
SCHEMBL7745710 0.77 AGTR1 (0.38) TBXA2R
SCHEMBL7741469 0.74 PTGDR2 (0.42) TBXA2RCA1CA2CA9CA12
SCHEMBL7745715 0.74 AGTR1 (0.35) TBXA2RCNR2
SCHEMBL7745634 0.74 ALDH1A1 (0.37) TBXA2RCA1CA2

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-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed