SCHEMBL7746494

SCHEMBL7746494

COC(=O)c1ccc(CO/N=C2/C(=O)N(Cc3nc4ccccc4n3CCn3cnnn3)c3ccc(F)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
DRD2 P14416 8/20 0.39
TBXA2R P21731 7/20 0.39
TP53 P04637 4/20 0.36
THRB P10828 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35
CFTR P13569 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 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
SCHEMBL7741465 0.95 AGTR1 (0.36) MAPTLMNADRD2TBXA2RTP53
SCHEMBL7745385 0.87 AGTR1 (0.42) TBXA2R
SCHEMBL7746035 0.86 AGTR1 (0.36) TBXA2R
SCHEMBL7745380 0.83 TBXA2R (0.39) TBXA2R
SCHEMBL7741250 0.82 AGTR1 (0.36) MAPTLMNADRD2TBXA2RTP53
SCHEMBL7741627 0.82 CNR2 (0.38) DRD2TBXA2R
SCHEMBL7745710 0.82 AGTR1 (0.38) DRD2TBXA2RTP53
SCHEMBL7745715 0.80 AGTR1 (0.35) DRD2TBXA2R
SCHEMBL7740752 0.79 DRD2 (0.44) MAPTLMNADRD2TBXA2RPTGDR2
SCHEMBL7741406 0.79 DRD2 (0.44) MAPTLMNADRD2TBXA2RPTGDR2

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