SCHEMBL26835010

SCHEMBL26835010

Cc1ccc2nc(N3CCN(C(=O)c4ccccc4S(=O)(=O)C4CCC4)CC3)sc2c1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 16/20 0.80
TP53 P04637 2/20 0.60
MAPT P10636 2/20 0.60
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
HCRTR1 O43613 1/20 0.53
HCRTR2 O43614 1/20 0.53

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
SCHEMBL26836407 0.97 NAAA (0.81) NAAATP53MAPTNPC1RAB9A
SCHEMBL26831197 0.96 NAAA (0.80) NAAATP53MAPTNPC1RAB9A
SCHEMBL26831842 0.92 NAAA (0.71) NAAATP53MAPTNPC1RAB9A
SCHEMBL30607181 0.89 NAAA (1.00) NAAATP53MAPT
SCHEMBL19630537 0.89 NAAA (1.00) NAAATP53MAPT
SCHEMBL21050112 0.87 NAAA (1.00) NAAATP53MAPT
SCHEMBL30607198 0.86 NAAA (1.00) NAAATP53MAPT
SCHEMBL19617804 0.86 NAAA (1.00) NAAATP53MAPT
SCHEMBL19617922 0.86 NAAA (0.81) NAAA
SCHEMBL30607186 0.86 NAAA (0.81) 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
EP-3458447-B1 PIPERAZINYL METHANONE NAAA INHIBITORS UNIV CALIFORNIA (US) 2023-11-29 EP disclosed