SCHEMBL7718666

SCHEMBL7718666

O=C(O)CC(CN1CCCCC1)C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH3 Q9Y5N1 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
CHRM2 P08172 2/20 0.45
ADRA2B P18089 2/20 0.45
DRD3 P35462 2/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
OPRK1 P41145 1/20 0.44
LMNA P02545 1/20 0.44
GSK3B P49841 1/20 0.43
CYP2D6 P10635 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
OPRD1 P41143 1/20 0.43
KCNH2 Q12809 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
SCHEMBL7718661 0.85 LMNA (0.53) SLC6A4MEN1HPGDKMT2AALDH1A1
SCHEMBL10672554 0.84 SLC6A4 (0.51) SLC6A4MEN1HPGDTSHRKMT2A
SCHEMBL6862148 0.84 ALDH1A1 (0.58) SLC6A4MEN1KMT2AHRH3SIGMAR1
SCHEMBL7719212 0.83 SLC6A4 (0.48) SLC6A4HRH3SIGMAR1CHRM2ADRA2B
SCHEMBL6862360 0.83 SLC6A4 (0.69) SLC6A4KMT2AHRH3SIGMAR1CHRM2
SCHEMBL7718161 0.82 ALDH1A1 (0.60) SLC6A4MEN1KMT2AHRH3SIGMAR1
SCHEMBL9720545 0.80 CHRM2 (0.70) SLC6A4MEN1HPGDTSHRKMT2A
SCHEMBL6864368 0.80 ALDH1A1 (0.62) SLC6A4MEN1HPGDKMT2AHRH3
Lanperisone SCHEMBL5819917 0.79 CHRM2 (0.68) SLC6A4MEN1HPGDTSHRKMT2A
Lanperisone SCHEMBL570832 0.79 CHRM2 (0.68) SLC6A4MEN1HPGDTSHRKMT2A

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