SCHEMBL11397113

SCHEMBL11397113

CC(NC(=O)c1cc(Cl)cc2c1OCCO2)N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR3A P46098 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 2/20 0.34

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
Hydrochloric Acid SCHEMBL11263850 0.99 CHRNA7 (0.35) CHRNA7ALDH1A1HTR3ACHRNA1CHRNG
SCHEMBL11452402 0.80 USP2 (0.35) CHRNA7ALDH1A1MEN1KMT2A
SCHEMBL7362279 0.78 HTR4 (0.53) HTR3A
Hydrochloric Acid SCHEMBL7359454 0.77 HTR4 (0.52) HTR3A
Hydrochloric Acid SCHEMBL7355045 0.76 HTR4 (0.52) HTR3A
SCHEMBL11397116 0.74 HPGD (0.58) ALDH1A1
Hydrochloric Acid SCHEMBL11263860 0.74 HPGD (0.57) ALDH1A1
SCHEMBL1748557 0.71 KMT2A (0.46) ALDH1A1MEN1KMT2A
SCHEMBL7414248 0.70 HTR3A (0.52) HTR3AMEN1KMT2A
SCHEMBL11262018 0.69 TDP1 (0.39) ALDH1A1HTR3AMEN1KMT2A

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-4255580-A TREATMENT OF PSYCHOLOGICAL DISORDERS SIOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-03-10 US claimed