SCHEMBL12601554

SCHEMBL12601554

CN1CCC(Oc2ccc([N+](=O)[O-])c3ccccc23)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
CTSB P07858 3/20 0.44
AR P10275 2/20 0.44
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
SCD O00767 1/20 0.41
GAA P10253 1/20 0.39
HTR6 P50406 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL1775998 0.83 AR (0.40) NOS3NOS1NOS2CTSBAR
SCHEMBL1775240 0.83 AR (0.40) NOS3NOS1NOS2CTSBAR
SCHEMBL1775972 0.83 AR (0.40) NOS3NOS1NOS2CTSBAR
SCHEMBL1775056 0.80 PDE4B (0.46)
SCHEMBL1775041 0.80 PDE4B (0.46)
SCHEMBL1776107 0.80 AR (0.42) CTSBARSCDGAATDP1
SCHEMBL30820471 0.77 KDM4E (0.41) HTR2CHTR2BHTR6SLC6A4
SCHEMBL12601553 0.77 NOS3 (0.64) NOS3NOS1NOS2CHRM4CHRM5
SCHEMBL28552934 0.75 ALDH1A1 (0.43) HTR2CHTR2BSCDHTR6
SCHEMBL30792090 0.75 NOS3 (0.38) NOS3NOS1NOS2HTR2CHTR2B

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
US-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US disclosed