SCHEMBL23779129

SCHEMBL23779129

O=C(c1cc2c(Cl)cccc2[nH]1)N1CCn2nc(NS(=O)(=O)C3CC3)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 11/20 0.51
▸ DRD2 P14416 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ GRM5 P41594 2/20 0.38
▸ MAPK14 Q16539 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL23779137 0.88 HRH4 (0.39) HRH4DRD2DRD3GRIN2DGRIN3B
SCHEMBL23779078 0.87 HRH4 (0.36) HRH4GRM5MEN1KMT2ARXFP1
SCHEMBL23779087 0.86 HRH4 (0.41) HRH4GRM5MEN1KMT2ARXFP1
SCHEMBL23779103 0.85 HDAC6 (0.50) HRH4MEN1KMT2A
SCHEMBL23779068 0.84 HRH4 (0.51) HRH4DRD2DRD3GRM5MAPK14
SCHEMBL23779101 0.82 POLB (0.51) HRH4MEN1KMT2A
SCHEMBL23779079 0.81 HDAC6 (0.48) HRH4MEN1KMT2A
SCHEMBL23779131 0.81 HRH4 (0.36) HRH4GRM5
SCHEMBL23779076 0.81 HRH4 (0.48) HRH4DRD2DRD3GRM5MAPK14
SCHEMBL24319820 0.80 HRH4 (0.59) HRH4DRD2DRD3GRM5MAPK14

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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