SCHEMBL7741406

SCHEMBL7741406

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
TBXA2R P21731 7/20 0.44
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CFTR P13569 1/20 0.38
OPRK1 P41145 1/20 0.37

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
SCHEMBL7740984 0.91 TBXA2R (0.38) DRD2TBXA2RTSHRALDH1A1MAPT
SCHEMBL7740752 0.89 DRD2 (0.44) DRD2TBXA2RTSHRALDH1A1MAPT
SCHEMBL7745904 0.89 DRD2 (0.44) DRD2TBXA2RALDH1A1MAPTLMNA
SCHEMBL7745936 0.88 TSHR (0.41) TSHRALDH1A1MAPTLMNAPOLB
SCHEMBL7745974 0.87 DRD2 (0.42) DRD2TBXA2RALDH1A1MAPTLMNA
SCHEMBL7745710 0.85 AGTR1 (0.38) DRD2TBXA2RPOLB
SCHEMBL7746299 0.84 TSHR (0.40) TSHRALDH1A1NPSR1MAPTLMNA
SCHEMBL7746271 0.82 TSHR (0.45) TSHRALDH1A1USP2LMNAPOLB
SCHEMBL7745478 0.82 GRM2 (0.41) TSHRALDH1A1USP2NPSR1MAPT
SCHEMBL7745883 0.81 AGTR1 (0.42) ALDH1A1MAPTLMNAPOLB

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