SCHEMBL7741250

SCHEMBL7741250

COC(=O)c1ccc(CO/N=C2/C(=O)N(Cc3nc4ccc(F)cc4n3CCN(C)C)c3ccc(F)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
IDO1 P14902 1/20 0.34
GLP1R P43220 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
DRD2 P14416 2/20 0.34
TBXA2R P21731 2/20 0.34
IDH1 O75874 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
P2RX3 P56373 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PTPN7 P35236 1/20 0.32
ACSS2 Q9NR19 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
SCHEMBL7741627 0.94 CNR2 (0.38) AGTR1AGTR2IDO1DRD2TBXA2R
SCHEMBL7745710 0.90 AGTR1 (0.38) AGTR1AGTR2GLP1RTP53POLB
SCHEMBL7741615 0.90 CNR2 (0.42) TBXA2RIDH1CNR2
SCHEMBL7746063 0.87 IDO1 (0.35) IDO1TBXA2RCNR2
SCHEMBL7745904 0.85 DRD2 (0.44) TP53POLBDRD2TBXA2RLMNA
SCHEMBL7745715 0.82 AGTR1 (0.35) AGTR1AGTR2DRD2TBXA2RIDH1
SCHEMBL7746494 0.82 MAPT (0.39) TP53DRD2TBXA2RLMNAMAPT
SCHEMBL7741465 0.81 AGTR1 (0.36) AGTR1AGTR2TP53POLBDRD2
SCHEMBL7741233 0.78 TBXA2R (0.34) AGTR1AGTR2TBXA2R
SCHEMBL7745883 0.78 AGTR1 (0.42) AGTR1AGTR2GLP1RPOLBLMNA

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