SCHEMBL7741465

SCHEMBL7741465

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
CNR2 P34972 2/20 0.35
IDH1 O75874 1/20 0.34
TBXA2R P21731 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DRD2 P14416 2/20 0.32
KLKB1 P03952 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
SCHEMBL7746494 0.95 MAPT (0.39) LMNATP53TBXA2RMAPTDRD2
SCHEMBL7746035 0.91 AGTR1 (0.36) AGTR1AGTR2CNR2TBXA2R
SCHEMBL7745380 0.88 TBXA2R (0.39) AGTR1AGTR2TBXA2R
SCHEMBL7741627 0.87 CNR2 (0.38) AGTR1AGTR2CNR2IDH1TBXA2R
SCHEMBL7745715 0.85 AGTR1 (0.35) AGTR1AGTR2CNR2IDH1TBXA2R
SCHEMBL7741615 0.82 CNR2 (0.42) CNR2IDH1TBXA2RKDM4E
SCHEMBL7741250 0.81 AGTR1 (0.36) AGTR1AGTR2LMNATP53CNR2
SCHEMBL7745710 0.81 AGTR1 (0.38) AGTR1AGTR2TP53IDH1TBXA2R
SCHEMBL7745955 0.75 TBXA2R (0.41) TBXA2R
SCHEMBL7746032 0.74 FFAR4 (0.39) LMNAMAPT

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