SCHEMBL23779114

SCHEMBL23779114

O=C(c1cc2ccccc2[nH]1)N1CCn2nc(NCC3(O)CCC3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.48
▸ HRH4 Q9H3N8 5/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ AKR1C3 P42330 4/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ DRD3 P35462 5/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL24319834 0.90 HDAC6 (0.47) HDAC6HRH4HRH3POLBSMN1; SMN2
SCHEMBL23779139 0.90 HDAC6 (0.47) HDAC6HRH4HRH3POLBSMN1; SMN2
SCHEMBL23779063 0.88 HDAC6 (0.45) HDAC6HRH4HRH3POLBSMN1; SMN2
SCHEMBL24319981 0.86 HDAC6 (0.43) HDAC6HRH4HRH3AKR1C3NAMPT
SCHEMBL23779113 0.85 HRH4 (0.39) HDAC6HRH4DRD3DRD2
SCHEMBL23779138 0.84 HDAC6 (0.45) HDAC6HRH4HRH3POLBSMN1; SMN2
SCHEMBL24319827 0.84 HDAC6 (0.48) HDAC6HRH4HRH3POLBSMN1; SMN2
SCHEMBL23779107 0.83 HRH4 (0.53) HDAC6HRH4HRH3POLBSMN1; SMN2
SCHEMBL23779072 0.83 POLB (0.46) HDAC6HRH4HRH3POLBSMN1; SMN2
SCHEMBL24319833 0.82 HDAC6 (0.49) HDAC6HRH4HRH3POLBSMN1; SMN2

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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