SCHEMBL7719212

SCHEMBL7719212

O=C(O)CC(CN1CCCCC1)C(=O)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.48
ALDH1A1 P00352 6/20 0.45
RAB9A P51151 3/20 0.45
HTT P42858 2/20 0.45
ATM Q13315 2/20 0.45
CHRM2 P08172 2/20 0.45
ADRA2B P18089 2/20 0.45
DRD3 P35462 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
MITF O75030 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GFER P55789 1/20 0.45
PAX8 Q06710 1/20 0.45
LMNA P02545 3/20 0.44
CYP2D6 P10635 3/20 0.43
HIF1A Q16665 2/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
OPRD1 P41143 1/20 0.43

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) SLC6A4ALDH1A1RAB9AHTTATM
SCHEMBL7718161 0.85 ALDH1A1 (0.60) SLC6A4ALDH1A1RAB9AHTTATM
SCHEMBL6864372 0.84 ALDH1A1 (0.44) SLC6A4ALDH1A1RAB9AHTTATM
SCHEMBL6862360 0.83 SLC6A4 (0.69) SLC6A4ALDH1A1RAB9AHTTATM
SCHEMBL7718666 0.83 SLC6A4 (0.49) SLC6A4ALDH1A1RAB9AHTTATM
SCHEMBL6864368 0.80 ALDH1A1 (0.62) SLC6A4ALDH1A1HTTCHRM2ADRA2B
SCHEMBL7717254 0.78 SLC6A4 (0.43) SLC6A4ALDH1A1RAB9AHTTATM
SCHEMBL7713723 0.78 SLC6A4 (0.43) SLC6A4ALDH1A1RAB9AHTTATM
SCHEMBL7718150 0.78 SLC6A4 (0.43) SLC6A4ALDH1A1RAB9AHTTATM
SCHEMBL7719730 0.77 GSK3B (0.43) SLC6A4ALDH1A1RAB9AHTTATM

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
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