SCHEMBL7835702

SCHEMBL7835702

CCSCc1cc(OCc2ccccc2)n2nccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 4/20 0.39
KCNN1 Q92952 1/20 0.39
KCNN2 Q9H2S1 1/20 0.39
HTR2C P28335 7/20 0.39
SLC6A4 P31645 7/20 0.39
HTR2A P28223 4/20 0.39
LOXL2 Q9Y4K0 1/20 0.36
KDM5A P29375 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM5B Q9UGL1 1/20 0.36
MAPKAPK2 P49137 2/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 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
SCHEMBL7820873 0.89 KDM5A (0.38) KCNN3KCNN1KCNN2HTR2CSLC6A4
SCHEMBL7821016 0.88 KDM5A (0.41) KDM5AKDM4CKDM5BPRKAB2PRKAG1
SCHEMBL7820734 0.83 LOXL2 (0.48) KCNN3KCNN1KCNN2LOXL2PRKAB2
SCHEMBL7831290 0.83 KCNN3 (0.41) KCNN3KCNN1KCNN2HTR2CSLC6A4
SCHEMBL7832017 0.79 HTR2C (0.39) KCNN3KCNN1KCNN2HTR2CSLC6A4
SCHEMBL7830192 0.77 KCNN3 (0.40) KCNN3KCNN1KCNN2SLC6A4LOXL2
SCHEMBL7829229 0.77 LTA4H (0.39) KCNN3KCNN1KCNN2HTR2CSLC6A4
SCHEMBL7832772 0.76 LOXL2 (0.35) KCNN3LOXL2PRKAB2PRKAG1PRKAA2
SCHEMBL7820735 0.75 PDE10A (0.39) KCNN3LOXL2MAPKAPK2PRKAB2PRKAG1
SCHEMBL7834918 0.74 LOXL2 (0.38) KCNN3KCNN1KCNN2LOXL2

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