SCHEMBL11243046

SCHEMBL11243046

Oc1ccc(O[C@@H]2CCNC[C@H]2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
NPY4R P50391 1/20 0.40
NPY5R Q15761 1/20 0.40
HRH1 P35367 2/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
GRK2 P25098 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APP P05067 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
SLC18A3 Q16572 1/20 0.33
PRKCZ Q05513 1/20 0.33
TYR P14679 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL11243041 1.00 NPY1R (0.40) NPY1RNPY2RNPY4RNPY5RHRH1
SCHEMBL11243039 1.00 NPY1R (0.40) NPY1RNPY2RNPY4RNPY5RHRH1
SCHEMBL11236266 0.85 HTR2B (0.42) NPY1RNPY2RNPY4RNPY5RSLC6A2
SCHEMBL11244532 0.85 HTR2B (0.42) NPY1RNPY2RNPY4RNPY5RSLC6A2
SCHEMBL11230983 0.85 TDP1 (0.50) NPY1RNPY2RNPY4RNPY5RTDP1
SCHEMBL11236271 0.85 HTR2B (0.42) NPY1RNPY2RNPY4RNPY5RSLC6A2
SCHEMBL11236259 0.85 HTR2B (0.42) NPY1RNPY2RNPY4RNPY5RSLC6A2
SCHEMBL11244526 0.85 HTR2B (0.42) NPY1RNPY2RNPY4RNPY5RSLC6A2
SCHEMBL11231006 0.85 TDP1 (0.50) NPY1RNPY2RNPY4RNPY5RTDP1
SCHEMBL11231029 0.85 TDP1 (0.50) NPY1RNPY2RNPY4RNPY5RTDP1

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
US-4320137-A Derivatives of perhydro-aza-heterocycles CIBA-GEIGY CORPORATION (US) 1982-03-16 US disclosed
US-4246269-A Antidepressant piperidinones CIBA-GEIGY CORPORATION (US) 1981-01-20 US disclosed
US-4160837-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1979-07-10 US disclosed