SCHEMBL7831998

SCHEMBL7831998

CCOCc1cc(Oc2cccc(Cl)c2)n2nccc2n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
KCNN3 Q9UGI6 6/20 0.41
FFAR1 O14842 1/20 0.36
MMP14 P50281 1/20 0.34
RHEB Q15382 1/20 0.33
RAD52 P43351 1/20 0.33
KCNN1 Q92952 1/20 0.33
KCNN2 Q9H2S1 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
PDE4B Q07343 1/20 0.33
MAPT P10636 1/20 0.33
PDE10A Q9Y233 1/20 0.33
GRM5 P41594 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL7834870 0.87 P2RX7 (0.39) LOXL2KCNN3KCNN1KCNN2MAPT
SCHEMBL7835023 0.87 LOXL2 (0.49) LOXL2KCNN3KCNN1KCNN2PDE10A
SCHEMBL7833319 0.84 LOXL2 (0.46) LOXL2KCNN3FFAR1RHEBRAD52
SCHEMBL7830320 0.82 S1PR4 (0.36) LOXL2KCNN3MAPTPDE10AP2RX7
SCHEMBL7830196 0.81 PDE10A (0.40) LOXL2KCNN3MAPTPDE10A
SCHEMBL7832607 0.81 KCNN3 (0.40) LOXL2KCNN3FFAR1MMP14KCNN1
SCHEMBL7829453 0.81 LOXL2 (0.46) LOXL2KCNN3FFAR1RHEBRAD52
SCHEMBL7831956 0.79 LOXL2 (0.45) LOXL2KCNN3FFAR1RHEBRAD52
SCHEMBL7835475 0.79 LOXL2 (0.47) LOXL2KCNN3RHEBRAD52CYP1A2
SCHEMBL7830500 0.77 KDM5A (0.39) KCNN3KCNN1KCNN2MAPTPDE10A

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