SCHEMBL28802435

SCHEMBL28802435

c1ccc(CCn2cnc(-c3ccccc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.55
PDE10A Q9Y233 1/20 0.54
CYP2E1 P05181 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2A6 P11509 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2B6 P20813 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
P2RX4 Q99571 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4C Q9H3R0 2/20 0.45
KDM5A P29375 2/20 0.45
KDM5B Q9UGL1 2/20 0.45
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
HTT P42858 1/20 0.42
KDM2B Q8NHM5 1/20 0.42

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
SCHEMBL1346083 0.82 HPGDS (0.77) HPGDSCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL12985345 0.81 PDE10A (0.49) HPGDSPDE10ACYP2E1CYP3A4CYP2A6
SCHEMBL12985709 0.81 PDE10A (0.49) HPGDSPDE10ACYP2E1CYP3A4CYP2A6
SCHEMBL7990801 0.81 CYP2E1 (0.53) HPGDSPDE10ACYP2E1CYP3A4CYP2A6
SCHEMBL4865471 0.81 PDE10A (0.49) HPGDSPDE10ACYP2E1CYP3A4CYP2A6
Hydrochloric Acid SCHEMBL28812335 0.79 PDE10A (0.48) HPGDSPDE10ACYP2E1CYP3A4CYP2A6
SCHEMBL8921117 0.79 HPGDS (0.51) HPGDSPDE10ACYP2E1CYP3A4CYP2A6
SCHEMBL2910946 0.78 CYP2E1 (0.67) HPGDSPDE10ACYP2E1CYP3A4CYP2A6
SCHEMBL4865849 0.78 CYP2E1 (0.49) HPGDSPDE10ACYP2E1CYP3A4CYP2A6
SCHEMBL5924494 0.78 PDE10A (0.47) HPGDSPDE10ACYP2E1CYP3A4CYP2A6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102850893-A Curable resin composition SUMITOMO CHEMICAL CO 2013-01-02 CN disclosed