SCHEMBL7833635

SCHEMBL7833635

C=CCCc1cc(Oc2ccccc2)n2nccc2n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.48
PDE10A Q9Y233 2/20 0.34
KCNN1 Q92952 1/20 0.33
KCNN2 Q9H2S1 1/20 0.33
KCNN3 Q9UGI6 1/20 0.33
CDK2 P24941 2/20 0.31
CCNE1 P24864 1/20 0.31
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30
CDK13 Q14004 1/20 0.30
CDK12 Q9NYV4 1/20 0.30
LTA4H P09960 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7831770 0.88 PDE10A (0.43) LOXL2PDE10ACDK2CDK7CDK9
SCHEMBL7832213 0.88 LOXL2 (0.38) LOXL2PDE10AKCNN1KCNN2KCNN3
SCHEMBL7831956 0.88 LOXL2 (0.45) LOXL2PDE10AKCNN1KCNN2KCNN3
SCHEMBL7830054 0.84 LOXL2 (0.37) LOXL2PDE10AKCNN1KCNN2KCNN3
SCHEMBL7832017 0.83 HTR2C (0.39) LOXL2KCNN1KCNN2KCNN3CDK2
SCHEMBL7833191 0.82 PDE10A (0.36) LOXL2PDE10ACDK2CDK7CDK9
SCHEMBL7830272 0.80 GABRA1 (0.39) LOXL2
SCHEMBL7831627 0.80 LOXL2 (0.50) LOXL2PDE10AKCNN1KCNN2KCNN3
SCHEMBL7831183 0.78 S1PR4 (0.35) LOXL2PDE10AKCNN3MAPT
SCHEMBL7820734 0.78 LOXL2 (0.48) LOXL2PDE10AKCNN1KCNN2KCNN3

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