SCHEMBL7745883

SCHEMBL7745883

CN(C)CCn1c(CN2C(=O)/C(=N/OCc3ccc(C(=O)O)cc3)c3ccccc32)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.42
AGTR2 P50052 4/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
PPARG P37231 4/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
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
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HPGD P15428 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
SCHEMBL7745904 0.92 DRD2 (0.44) HDAC1HDAC6ALDH1A1POLBHDAC3
SCHEMBL7745810 0.89 AGTR1 (0.42) AGTR1AGTR2PPARGALDH1A1POLB
SCHEMBL7745909 0.85 ALDH1A1 (0.35) HDAC1HDAC6PPARGALDH1A1POLB
SCHEMBL7745471 0.85 ALDH1A1 (0.34) HDAC1HDAC6ALDH1A1POLBHDAC3
SCHEMBL7740984 0.83 TBXA2R (0.38) AGTR1AGTR2HDAC1HDAC6ALDH1A1
SCHEMBL7741406 0.81 DRD2 (0.44) ALDH1A1POLBLMNAMAPT
SCHEMBL7740752 0.81 DRD2 (0.44) ALDH1A1POLBLMNAMAPT
SCHEMBL7745732 0.81 TSHR (0.46) ALDH1A1POLBLMNAMAPT
SCHEMBL7745974 0.80 DRD2 (0.42) ALDH1A1POLBLMNAMAPT
SCHEMBL7741370 0.78 TSHR (0.43) 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