SCHEMBL16995312

SCHEMBL16995312

Cc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ DRD4 P21917 10/20 0.48
▸ DRD2 P14416 8/20 0.48
▸ MCHR1 Q99705 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MC4R P32245 1/20 0.46
▸ DRD3 P35462 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.44
▸ CDK14 O94921 2/20 0.44
▸ CCNY Q8ND76 2/20 0.44

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
SCHEMBL8219241 0.94 L3MBTL1 (0.61) L3MBTL1DRD4DRD2MCHR1SIGMAR1
SCHEMBL8219766 0.89 L3MBTL1 (0.69) L3MBTL1DRD4MCHR1POLBSIGMAR1
SCHEMBL16995307 0.84 HTR4 (0.45) L3MBTL1
SCHEMBL8222417 0.81 L3MBTL1 (0.50) L3MBTL1
SCHEMBL1286719 0.78 L3MBTL1 (0.48) L3MBTL1
SCHEMBL955461 0.78 DYRK1A (0.54) L3MBTL1
SCHEMBL8224789 0.78 L3MBTL1 (0.49) L3MBTL1
SCHEMBL955297 0.78 DYRK1A (0.54) L3MBTL1
SCHEMBL953496 0.78 DYRK1A (0.51) L3MBTL1
SCHEMBL8226784 0.77 L3MBTL1 (0.48) L3MBTL1

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-1845973-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2015-08-12 — — EP disclosed
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