SCHEMBL1793307

SCHEMBL1793307

Cc1ccc(S(=O)(=O)n2ccc3cc(-c4ccc(N5CC6=CNCC6C5)nn4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
EED O75530 1/20 0.35
TP53 P04637 3/20 0.34
CHRNA7 P36544 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
ACP1 P24666 1/20 0.33
PPARG P37231 1/20 0.33
VEGFA P15692 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL1793305 0.83 CHRNA7 (0.47) HTR6NPC1RAB9AEEDTP53
SCHEMBL930239 0.81 CHRNA7 (0.41) NPC1RAB9ACHRNA7
SCHEMBL930768 0.73 CHRNA7 (0.59) NPC1CHRNA7
SCHEMBL928081 0.71 MAPT (0.42) TP53LMNA
SCHEMBL928387 0.70 CHRNA7 (0.42) NPC1RAB9ACHRNA7
SCHEMBL928096 0.69 MAPT (0.40) TP53LMNA
Bromide SCHEMBL928348 0.69 CHRNA7 (0.41) NPC1RAB9ACHRNA7
SCHEMBL6323965 0.69 CHRNA7 (0.42) NPC1RAB9ACHRNA7
Bromide SCHEMBL928337 0.68 CHRNA7 (0.41) NPC1RAB9ACHRNA7
SCHEMBL928323 0.68 NPC1 (0.45) NPC1RAB9ATP53CHRNA7LMNA

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-2316836-A1 Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors Abbott Laboratories (US) 2011-05-04 EP disclosed