SCHEMBL23779137

SCHEMBL23779137

CCc1cccc2[nH]c(C(=O)N3CCn4nc(NS(=O)(=O)C5CC5)cc4C3)cc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 11/20 0.39
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ SYK P43405 1/20 0.34

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
SCHEMBL23779129 0.88 HRH4 (0.51) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23779140 0.87 GRM5 (0.33) HRH4
SCHEMBL23779103 0.84 HDAC6 (0.50) HRH4HDAC6
SCHEMBL23779092 0.81 SYK (0.42) HRH4SYK
SCHEMBL23779087 0.81 HRH4 (0.41) HRH4
SCHEMBL23779101 0.80 POLB (0.51) HRH4HDAC6
SCHEMBL23779078 0.80 HRH4 (0.36) HRH4
SCHEMBL23779079 0.80 HDAC6 (0.48) HRH4HDAC6
SCHEMBL23779131 0.80 HRH4 (0.36) HRH4
SCHEMBL23779113 0.80 HRH4 (0.39) HRH4DRD2DRD3HDAC6

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-3873910-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2021-09-08 — — EP disclosed
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