SCHEMBL23779087

SCHEMBL23779087

O=C(c1cc2c(Cl)c(F)ccc2[nH]1)N1CCn2nc(NS(=O)(=O)C3CC3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 12/20 0.41
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ GRM5 P41594 3/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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 0.86 HRH4 (0.51) HRH4MEN1KMT2ARXFP1GRM5
SCHEMBL23779078 0.85 HRH4 (0.36) HRH4MEN1KMT2ARXFP1GRM5
SCHEMBL23779131 0.85 HRH4 (0.36) HRH4GRM5KCNH2
SCHEMBL23779091 0.81 POLB (0.43) HRH4MEN1KMT2ARXFP1
SCHEMBL23779137 0.81 HRH4 (0.39) HRH4
SCHEMBL23779140 0.81 GRM5 (0.33) HRH4MEN1KMT2AGRM5
SCHEMBL23779103 0.81 HDAC6 (0.50) HRH4MEN1KMT2AHRH3
SCHEMBL23779101 0.77 POLB (0.51) HRH4MEN1KMT2AHRH3
SCHEMBL23779079 0.77 HDAC6 (0.48) HRH4MEN1KMT2AHRH3
SCHEMBL23778208 0.74 MAPT (0.50) KMT2AKCNH2

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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