SCHEMBL7745904

SCHEMBL7745904

COC(=O)c1ccc(CO/N=C2/C(=O)N(Cc3nc4ccccc4n3CCN(C)C)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
TBXA2R P21731 7/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL7745883 0.92 AGTR1 (0.42) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7741406 0.89 DRD2 (0.44) DRD2TBXA2RALDH1A1POLBLMNA
SCHEMBL7740752 0.89 DRD2 (0.44) DRD2TBXA2RALDH1A1POLBLMNA
SCHEMBL7745974 0.87 DRD2 (0.42) DRD2TBXA2RALDH1A1POLBLMNA
SCHEMBL7741250 0.85 AGTR1 (0.36) DRD2TBXA2RHDAC1HDAC6POLB
SCHEMBL7741627 0.85 CNR2 (0.38) DRD2TBXA2RKDM4E
SCHEMBL7745909 0.84 ALDH1A1 (0.35) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7740984 0.84 TBXA2R (0.38) DRD2TBXA2RHDAC1HDAC6ALDH1A1
SCHEMBL7745471 0.84 ALDH1A1 (0.34) DRD2HDAC1HDAC6HDAC3HDAC4
SCHEMBL7745810 0.81 AGTR1 (0.42) ALDH1A1POLBLMNAMAPT

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