SCHEMBL11568434

SCHEMBL11568434

OC1CCCC1Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
NPY4R P50391 1/20 0.53
NPY5R Q15761 1/20 0.53
HRH1 P35367 1/20 0.53
LTA4H P09960 16/20 0.50
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL11502884 0.98 NPY1R (0.55) NPY1RNPY2RNPY4RNPY5RHRH1
SCHEMBL1496787 0.86 NPY1R (0.57) NPY1RNPY2RNPY4RNPY5RHRH1
SCHEMBL19822413 0.84 NPY1R (0.54) NPY1RNPY2RNPY4RNPY5RLTA4H
SCHEMBL1496527 0.83 NPY1R (0.55) NPY1RNPY2RNPY4RNPY5RLTA4H
SCHEMBL28570110 0.83 NPY1R (0.62) NPY1RNPY2RNPY4RNPY5RHRH1
SCHEMBL1496724 0.83 NPY1R (0.62) NPY1RNPY2RNPY4RNPY5RHRH1
SCHEMBL1496715 0.81 NPY1R (0.60) NPY1RNPY2RNPY4RNPY5RHRH1
SCHEMBL20022643 0.80 NPY1R (0.73) NPY1RNPY2RNPY4RNPY5RMEN1
SCHEMBL1496809 0.80 NPY1R (0.59) NPY1RNPY2RNPY4RNPY5RLTA4H
SCHEMBL11502874 0.79 NPY1R (0.51) NPY1RNPY2RNPY4RNPY5RALDH1A1

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-4175137-A Etherified cycloalkanols CIBA-GEIGY CORPORATION (US) 1979-11-20 US disclosed