SCHEMBL30607183

SCHEMBL30607183

COc1ccccc1C(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.84
MAPT P10636 2/20 0.84
NAAA Q02083 13/20 0.72
HCRTR2 O43614 3/20 0.62
HCRTR1 O43613 2/20 0.62
LMNA P02545 1/20 0.60
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL19617560 1.00 TP53 (0.84) TP53MAPTNAAAHCRTR2HCRTR1
SCHEMBL19617548 0.88 NAAA (0.75) TP53MAPTNAAAHCRTR2HCRTR1
SCHEMBL30607206 0.87 NAAA (0.74) TP53MAPTNAAAHCRTR2HCRTR1
SCHEMBL19617870 0.87 NAAA (0.74) TP53MAPTNAAAHCRTR2HCRTR1
SCHEMBL30607208 0.85 NAAA (0.72) TP53MAPTNAAAHCRTR2HCRTR1
SCHEMBL19617772 0.85 NAAA (0.72) TP53MAPTNAAAHCRTR2HCRTR1
SCHEMBL19617831 0.84 NAAA (1.00) TP53MAPTNAAA
SCHEMBL30607187 0.84 NAAA (1.00) TP53MAPTNAAA
SCHEMBL19617684 0.83 MAPT (0.71) TP53MAPTNAAALMNANPC1
SCHEMBL30607199 0.82 NAAA (1.00) NAAA

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
CN-109476616-B Piperazinyl methanone NAAA inhibitors 加利福尼亚大学董事会 2023-10-13 CN disclosed