SCHEMBL7740984

SCHEMBL7740984

COCCCn1c(CN2C(=O)/C(=N/OCc3ccc(C(=O)N(C)C)cc3)c3ccccc32)nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.38
DRD2 P14416 3/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
PTGER4 P35408 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RAB9A P51151 1/20 0.35
TSPO P30536 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
AGTR1 P30556 2/20 0.34
AGTR2 P50052 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL7741406 0.91 DRD2 (0.44) TBXA2RDRD2TSHRMAPTALDH1A1
SCHEMBL7745936 0.87 TSHR (0.41) TSHRMAPTALDH1A1LMNAPOLB
SCHEMBL7745904 0.84 DRD2 (0.44) TBXA2RDRD2MAPTALDH1A1LMNA
SCHEMBL7745883 0.83 AGTR1 (0.42) MAPTALDH1A1LMNAPOLBPTGER4
SCHEMBL7746299 0.83 TSHR (0.40) TSHRMAPTALDH1A1LMNAPOLB
SCHEMBL7746271 0.81 TSHR (0.45) TSHRALDH1A1LMNAPOLBRAB9A
SCHEMBL7740752 0.81 DRD2 (0.44) TBXA2RDRD2TSHRMAPTALDH1A1
SCHEMBL7745478 0.81 GRM2 (0.41) TSHRMAPTALDH1A1LMNAPOLB
SCHEMBL7745810 0.80 AGTR1 (0.42) TSHRMAPTALDH1A1LMNAPOLB
SCHEMBL7745974 0.79 DRD2 (0.42) TBXA2RDRD2MAPTALDH1A1LMNA

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