SCHEMBL23616910

SCHEMBL23616910

C=Cc1ccc(C(=O)Nc2ccccc2CC(=O)OCC)cc1-c1cccc(CN)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 13/20 0.61
▸ SUCNR1 Q9BXA5 7/20 0.54
▸ F11 P03951 2/20 0.54
▸ TPSB2 P20231 1/20 0.54
▸ ROCK2 O75116 1/20 0.39

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
SCHEMBL21437787 0.82 CFD (0.60) CFDSUCNR1F11TPSB2
SCHEMBL23616953 0.81 CFD (0.57) CFDSUCNR1F11TPSB2
SCHEMBL21438996 0.80 CFD (0.58) CFDSUCNR1F11TPSB2
SCHEMBL21439638 0.80 CFD (0.55) CFDSUCNR1F11TPSB2ROCK2
SCHEMBL21439680 0.80 CFD (0.57) CFDSUCNR1F11TPSB2
SCHEMBL21439722 0.80 CFD (0.78) CFDSUCNR1F11TPSB2
SCHEMBL21439681 0.80 CFD (0.59) CFDSUCNR1F11TPSB2
SCHEMBL21439740 0.79 CFD (0.54) CFDSUCNR1F11TPSB2
SCHEMBL30358704 0.79 CFD (0.54) CFDSUCNR1F11TPSB2
SCHEMBL21439652 0.79 CFD (0.56) CFDSUCNR1F11TPSB2

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
EP-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 — — EP disclosed
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