SCHEMBL21533092

SCHEMBL21533092

Cc1ccnc(C)c1-c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 12/20 0.70
CACNG8 Q8WXS5 2/20 0.70
PDE3B Q13370 1/20 0.58
PDE3A Q14432 1/20 0.58
CYP1A2 P05177 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
CRBN Q96SW2 1/20 0.51
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PGR P06401 1/20 0.48
AHR P35869 1/20 0.45

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
SCHEMBL18189535 0.88 GRIA1 (0.65) GRIA1CACNG8PDE3BPDE3ACYP1A2
SCHEMBL18189631 0.82 GRIA1 (1.00) GRIA1CACNG8PDE3BPDE3ACYP1A2
SCHEMBL18189557 0.82 GRIA1 (0.48) GRIA1CACNG8PDE3BPDE3ACYP1A2
SCHEMBL15730139 0.80 GRIA1 (0.67) GRIA1CACNG8PDE3BPDE3ACYP1A2
SCHEMBL18189428 0.79 GRIA1 (0.47) GRIA1CACNG8PDE3BPDE3ACYP1A2
SCHEMBL15344913 0.78 PDE3B (0.58) GRIA1CACNG8PDE3BPDE3ACYP1A2
SCHEMBL23143522 0.77 PDE3B (0.70) GRIA1CACNG8PDE3BPDE3ACYP1A2
SCHEMBL29899630 0.77 PDE3B (0.70) GRIA1CACNG8PDE3BPDE3ACYP1A2
SCHEMBL18189476 0.77 GRIA1 (0.82) GRIA1CACNG8PDE3BPDE3ACYP1A2
SCHEMBL18189650 0.77 GRIA1 (0.86) GRIA1CACNG8PDE3BPDE3ACYP1A2

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-3288935-B1 INDOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-30 EP disclosed