SCHEMBL2556547

SCHEMBL2556547

COc1ccc(C2CC(=O)N(Cc3ccc(-c4cccnc4)cc3F)C2)c2c1oc1cnccc12

nearest known ligand 0.89

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.89
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
TNIK Q9UKE5 2/20 0.37
ABCB1 P08183 2/20 0.36
ABCC1 P33527 2/20 0.36
PDE2A O00408 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35

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
SCHEMBL7709660 0.94 PDE10A (1.00) PDE10AHCRTR1HCRTR2TNIKABCB1
SCHEMBL7711523 0.94 PDE10A (0.89) PDE10AHCRTR1HCRTR2TNIKABCB1
SCHEMBL2556844 0.88 PDE10A (0.70) PDE10A
SCHEMBL2563062 0.88 PDE10A (0.70) PDE10A
SCHEMBL2561577 0.88 PDE10A (0.69) PDE10AHCRTR1HCRTR2TNIKCYP1A1
SCHEMBL7710215 0.87 PDE10A (0.86) PDE10AHCRTR1HCRTR2TNIK
SCHEMBL7707777 0.86 PDE10A (0.75) PDE10APDE2A
SCHEMBL2560629 0.86 PDE10A (0.84) PDE10APDE2A
SCHEMBL7703623 0.86 PDE10A (0.84) PDE10AHCRTR1HCRTR2
SCHEMBL7709492 0.83 PDE10A (0.62) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO claimed
WO-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed