SCHEMBL16300046

SCHEMBL16300046

O=C(c1ccccc1-c1ccc(Cl)cc1)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 13/20 0.49
CHRM3 P20309 6/20 0.49
CHRM2 P08172 4/20 0.49
CHRM4 P08173 3/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
CHRM5 P08912 2/20 0.46
KDM2B Q8NHM5 1/20 0.43
MGLL Q99685 1/20 0.42

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
SCHEMBL30857635 1.00 CHRM1 (0.49) CHRM1CHRM3CHRM2CHRM4SLC6A4
SCHEMBL15920348 0.88 HTR3E (0.52) CHRM1CHRM3CHRM2CHRM4SLC6A4
SCHEMBL10175121 0.85 SLC6A4 (0.51) SLC6A4SLC6A3KDM2BMGLL
SCHEMBL3709504 0.80 HTR3E (0.56) CHRM1SLC6A4SLC6A3HTR3EHTR3B
Bromide SCHEMBL11199812 0.79 HTR3E (0.55) CHRM1SLC6A4SLC6A3HTR3EHTR3B
Hydrochloric Acid SCHEMBL3714989 0.79 HTR3E (0.55) CHRM1SLC6A4SLC6A3HTR3EHTR3B
Hydrochloric Acid SCHEMBL27265396 0.78 HTR3E (0.49) CHRM1CHRM3CHRM2CHRM4SLC6A4
SCHEMBL227983 0.77 ALDH1A1 (0.50) CHRM1CHRM3CHRM2CHRM4SLC6A4
SCHEMBL16818201 0.76 CHRM1 (0.49) CHRM1CHRM3CHRM2CHRM4HTR3E
SCHEMBL654532 0.75 MEN1 (0.67) MGLL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601177-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2017-10-18 EP disclosed
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed