SCHEMBL7745974

SCHEMBL7745974

COC(=O)c1ccc(CO/N=C2/C(=O)N(Cc3nc4ccccc4n3CCNS(C)(=O)=O)c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.42
TBXA2R P21731 7/20 0.42
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CFTR P13569 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.35
THRB P10828 1/20 0.35

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 0.87 DRD2 (0.44) DRD2TBXA2RMAPTALDH1A1LMNA
SCHEMBL7740752 0.87 DRD2 (0.44) DRD2TBXA2RMAPTALDH1A1LMNA
SCHEMBL7741406 0.87 DRD2 (0.44) DRD2TBXA2RMAPTALDH1A1LMNA
SCHEMBL7745715 0.86 AGTR1 (0.35) DRD2TBXA2R
SCHEMBL7745883 0.80 AGTR1 (0.42) MAPTALDH1A1LMNAPOLB
SCHEMBL7745810 0.80 AGTR1 (0.42) MAPTALDH1A1LMNAPOLB
SCHEMBL7745634 0.79 ALDH1A1 (0.37) DRD2TBXA2RMAPTALDH1A1LMNA
SCHEMBL7740984 0.79 TBXA2R (0.38) DRD2TBXA2RMAPTALDH1A1LMNA
SCHEMBL7746494 0.77 MAPT (0.39) DRD2TBXA2RHTTMAPTLMNA
SCHEMBL7745732 0.77 TSHR (0.46) MAPTALDH1A1LMNAPOLBSMN1; SMN2

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