SCHEMBL7831741

SCHEMBL7831741

CC(=O)OC(C)CCc1cc(OCc2ccccn2)n2nccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.36
SYK P43405 7/20 0.36
AURKB Q96GD4 2/20 0.36
INCENP Q9NQS7 2/20 0.36
CYP1A2 P05177 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
PARP10 Q53GL7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAOB P27338 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
GRM5 P41594 1/20 0.34
PLAT P00750 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
SCHEMBL7832635 0.86 GABRA1 (0.36) LOXL2SYKAURKBINCENPCYP1A2
SCHEMBL7833249 0.85 PDE10A (0.33) LOXL2PDE10A
SCHEMBL7829885 0.83 KDM5A (0.40) ADORA3KDM4EMAOB
SCHEMBL7833969 0.83 LOXL2 (0.50) LOXL2PDE10AACACB
SCHEMBL7820991 0.83 KDM5A (0.43) LOXL2PDE10AADORA3MTNR1AMTNR1B
SCHEMBL7832654 0.80 LOXL2 (0.39) LOXL2CYP1A2KDM4EMAPT
SCHEMBL7835481 0.79 LOXL2 (0.38) LOXL2PDE10A
SCHEMBL7831747 0.78 GABRA1 (0.36) LOXL2SYKAURKBINCENPCYP1A2
SCHEMBL7831612 0.78 LOXL2 (0.41) LOXL2PDE10A
SCHEMBL7831449 0.78 PDE10A (0.43) LOXL2PDE10AMAPT

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