SCHEMBL1829951

SCHEMBL1829951

Cc1nc(-n2ccnn2)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
HCRTR1 O43613 12/20 0.35
HCRTR2 O43614 10/20 0.35
DHODH Q02127 3/20 0.34
CRACR2A Q9BSW2 2/20 0.33
KDM6B O15054 1/20 0.33
NAMPT P43490 1/20 0.32

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
SCHEMBL1829948 0.85 PDE2A (0.37) PDE2AHCRTR1HCRTR2
SCHEMBL1822437 0.81 PDE2A (0.43) PDE2AHCRTR1HCRTR2DHODHCRACR2A
SCHEMBL5161145 0.74 DHODH (0.43) PDE2ADHODHCRACR2A
SCHEMBL6488655 0.73 PDE2A (0.37) PDE2ADHODHCRACR2ANAMPT
SCHEMBL27513121 0.72 DHODH (0.46) PDE2ADHODHCRACR2ANAMPT
SCHEMBL28060968 0.69 NOTUM (0.36) HCRTR1HCRTR2
SCHEMBL9069970 0.69 DHODH (0.36) PDE2ADHODHCRACR2ANAMPT
SCHEMBL8814987 0.68 CSF1R (0.45) PDE2ADHODHCRACR2A
SCHEMBL8492072 0.68 DHODH (0.38) PDE2ADHODHCRACR2A
SCHEMBL8814817 0.68 GAA (0.39) PDE2ADHODH

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
EP-2185536-B1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-05-04 EP disclosed