SCHEMBL7819975

SCHEMBL7819975

Cc1[nH]c2ccccc2c1-n1c(C#N)c(-c2c(Cc3ccccc3CN)[nH]c3ccccc23)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 2/20 0.38
PDE9A O76083 5/20 0.35
PDE1C Q14123 1/20 0.35
CAMK2D Q13557 1/20 0.32
CCR6 P51684 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL7820731 0.89 PDE9A (0.37) NPEPPSPDE9APDE1CCAMK2DCCR6
SCHEMBL7822940 0.84 CAMK2D (0.38) NPEPPSPDE9APDE1CCAMK2DCCR6
SCHEMBL7822859 0.82 PDE9A (0.34) NPEPPSPDE9APDE1CCAMK2D
SCHEMBL7823992 0.81 PDE9A (0.35) NPEPPSPDE9APDE1CCAMK2D
SCHEMBL7812676 0.81 PDE9A (0.36) NPEPPSPDE9APDE1CCAMK2DCCR6
SCHEMBL7825914 0.81
Hydrochloric Acid SCHEMBL7840389 0.80
SCHEMBL7827359 0.79 CAMK2D (0.40) NPEPPSPDE9APDE1CCAMK2DCCR6
SCHEMBL7823267 0.79 MEN1 (0.34) NPEPPSPDE9APDE1C
Trifluoroacetic Acid SCHEMBL7822064 0.78 HDAC3 (0.35) PDE9APDE1CCAMK2D

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
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP claimed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO claimed