SCHEMBL7746035

SCHEMBL7746035

CN(C)C(=O)c1ccc(CO/N=C2/C(=O)N(Cc3nc4cc(F)ccc4n3CCn3cnnn3)c3ccc(F)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
TBXA2R P21731 5/20 0.35
CNR2 P34972 5/20 0.33
MAP4K1 Q92918 2/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 1/20 0.33
CNR1 P21554 1/20 0.32

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
SCHEMBL7745385 0.92 AGTR1 (0.42) AGTR1AGTR2TBXA2R
SCHEMBL7741465 0.91 AGTR1 (0.36) AGTR1AGTR2TBXA2RCNR2
SCHEMBL7745380 0.87 TBXA2R (0.39) AGTR1AGTR2TBXA2R
SCHEMBL7746494 0.86 MAPT (0.39) TBXA2R
SCHEMBL7741627 0.81 CNR2 (0.38) AGTR1AGTR2TBXA2RCNR2MAP4K1
SCHEMBL7745715 0.77 AGTR1 (0.35) AGTR1AGTR2TBXA2RCNR2
SCHEMBL7741615 0.76 CNR2 (0.42) TBXA2RCNR2
SCHEMBL7741250 0.75 AGTR1 (0.36) AGTR1AGTR2TBXA2RCNR2
SCHEMBL7745955 0.73 TBXA2R (0.41) TBXA2R
SCHEMBL7745710 0.73 AGTR1 (0.38) AGTR1AGTR2TBXA2R

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