SCHEMBL24200054

SCHEMBL24200054

NCc1cccc(-c2cc(C(=O)Nc3ccccc3CCO)cc3c2cnn3CC2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 15/20 0.45
▸ F11 P03951 1/20 0.43
▸ TPSB2 P20231 1/20 0.43
▸ SUCNR1 Q9BXA5 1/20 0.43
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ ROCK2 O75116 2/20 0.36
▸ AVPR1B P47901 1/20 0.35
▸ P2RX3 P56373 1/20 0.34
▸ P2RX2 Q9UBL9 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
SCHEMBL21439514 0.91 CFD (0.57) CFDF11TPSB2SUCNR1
SCHEMBL21439754 0.87 CFD (0.49) CFDF11TPSB2SUCNR1HDAC1
SCHEMBL29095034 0.83 CFD (0.39) CFDF11TPSB2SUCNR1HDAC1
SCHEMBL21439598 0.76 CFD (0.58) CFDF11TPSB2SUCNR1
SCHEMBL23616918 0.75 CFD (0.50) CFDF11TPSB2SUCNR1AVPR1B
SCHEMBL21438093 0.73 CFD (0.57) CFDF11TPSB2SUCNR1
SCHEMBL21439724 0.73 CFD (0.51) CFDF11TPSB2SUCNR1
SCHEMBL21439091 0.72 CFD (0.57) CFDF11TPSB2
SCHEMBL21438700 0.70 CFD (0.51) CFDF11TPSB2SUCNR1AVPR1B
SCHEMBL23616917 0.70 CFD (0.47) CFDF11TPSB2SUCNR1ROCK2

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-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
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