SCHEMBL7832635

SCHEMBL7832635

CC(O)CCc1cc(OCc2ccccn2)n2nccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.36
GABRG2 P18507 7/20 0.36
GABRB3 P28472 7/20 0.36
GABRA3 P34903 7/20 0.36
GABRA2 P47869 7/20 0.36
GABRA5 P31644 6/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
ABCB1 P08183 2/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
GRM5 P41594 2/20 0.35
PDE10A Q9Y233 1/20 0.35
CYP1A2 P05177 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34
PIK3CA P42336 2/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34

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
SCHEMBL7835469 0.88 HTR2C (0.38) LOXL2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7831741 0.86 LOXL2 (0.36) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7831747 0.83 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7820723 0.83 PRKAB2 (0.36) GABRA1LOXL2ABCB1PRKAB2PRKAG1
SCHEMBL7829684 0.83 PDE10A (0.35) LOXL2PDE10APRKAB2PRKAG1PRKAA2
SCHEMBL7832013 0.81 KDM5A (0.39) PDE10APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7830272 0.81 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7831627 0.81 LOXL2 (0.50) LOXL2HTR1ADRD2PDE10APRKAB2
SCHEMBL7832158 0.81 KDM5A (0.42) ABCB1PDE10APRKAB2PRKAG1PRKAA2
SCHEMBL7835386 0.77 LOXL2 (0.39) LOXL2PDE10ACYP1A2PRKAB2PRKAG1

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