SCHEMBL6862360

SCHEMBL6862360

Cc1ccc(C(=O)C(CC(=O)O)CN2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.69
CHRM2 P08172 2/20 0.66
ADRA2B P18089 2/20 0.66
DRD3 P35462 2/20 0.66
SIGMAR1 Q99720 2/20 0.66
HRH3 Q9Y5N1 2/20 0.66
ALDH1A1 P00352 4/20 0.64
LMNA P02545 3/20 0.64
CYP2D6 P10635 1/20 0.49
ADRA2C P18825 1/20 0.49
CHRM3 P20309 1/20 0.49
OPRD1 P41143 1/20 0.49
KCNH2 Q12809 1/20 0.49
SLC6A3 Q01959 7/20 0.47
SLC6A2 P23975 5/20 0.47
NTSR1 P30989 1/20 0.45
MITF O75030 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.45

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
SCHEMBL6862148 0.87 ALDH1A1 (0.58) SLC6A4CHRM2ADRA2BDRD3SIGMAR1
SCHEMBL18897724 0.86 SLC6A4 (0.77) SLC6A4CHRM2ADRA2BDRD3SIGMAR1
SCHEMBL7718161 0.85 ALDH1A1 (0.60) SLC6A4CHRM2ADRA2BDRD3SIGMAR1
SCHEMBL6864368 0.85 ALDH1A1 (0.62) SLC6A4CHRM2ADRA2BDRD3SIGMAR1
Hydrochloric Acid SCHEMBL29766065 0.84 SLC6A4 (0.75) SLC6A4CHRM2ADRA2BDRD3SIGMAR1
SCHEMBL7719212 0.83 SLC6A4 (0.48) SLC6A4CHRM2ADRA2BDRD3SIGMAR1
SCHEMBL7718666 0.83 SLC6A4 (0.49) SLC6A4CHRM2ADRA2BDRD3SIGMAR1
SCHEMBL4936687 0.82 SLC6A4 (1.00) SLC6A4CHRM2ADRA2BDRD3SIGMAR1
Tolperisone SCHEMBL4512790 0.80 CHRM2 (0.76) SLC6A4CHRM2ADRA2BDRD3SIGMAR1
Tolperisone SCHEMBL148499 0.80 CHRM2 (1.00) SLC6A4CHRM2ADRA2BDRD3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999204-B1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION NIPPON KAYAKU KK (JP) 2004-10-13 EP disclosed
US-6384063-B1 Compound having effect of promoting neuron differentiation NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-05-07 US disclosed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 EP disclosed