SCHEMBL7835386

SCHEMBL7835386

CC(O)CCc1cc(Oc2ccccc2Cl)n2nccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.39
KCNN3 Q9UGI6 8/20 0.37
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KCNN1 Q92952 1/20 0.33
KCNN2 Q9H2S1 1/20 0.33
FFAR1 O14842 1/20 0.32
PDE10A Q9Y233 1/20 0.32
TP53 P04637 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31

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
SCHEMBL7832891 0.88 POLB (0.35) LOXL2HTTALDH1A1FFAR1PDE10A
SCHEMBL7832654 0.86 LOXL2 (0.39) LOXL2KCNN3HTTALDH1A1CYP1A2
SCHEMBL7831627 0.84 LOXL2 (0.50) LOXL2KCNN3KCNN1KCNN2PDE10A
SCHEMBL7833855 0.83 LOXL2 (0.39) LOXL2KCNN3KCNN1KCNN2FFAR1
SCHEMBL7833197 0.82 LOXL2 (0.40) LOXL2KCNN3ALDH1A1NPSR1PDE10A
SCHEMBL7832607 0.80 KCNN3 (0.40) LOXL2KCNN3ALDH1A1NPSR1KCNN1
SCHEMBL7833160 0.79 PDE10A (0.41) LOXL2PDE10APRKAB2PRKAG1PRKAA2
SCHEMBL7835469 0.78 HTR2C (0.38) LOXL2KCNN3HTTALDH1A1KCNN1
SCHEMBL7832635 0.77 GABRA1 (0.36) LOXL2CYP1A2PDE10APRKAB2PRKAG1
SCHEMBL7832013 0.76 KDM5A (0.39) HTTPDE10APRKAB2PRKAG1PRKAA2

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
EP-0820997-B1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2001-07-25 EP disclosed
US-5985882-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
EP-0820997-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-28 EP disclosed