SCHEMBL23018555

SCHEMBL23018555

CCN(CC)CCCOc1ccc(-c2ncc(CNC)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 10/20 0.51
▸ ATP4B P51164 10/20 0.51
▸ AGER Q15109 3/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.45
▸ HTT P42858 1/20 0.43

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
SCHEMBL18667605 0.89 ATP4A (0.49) ATP4AATP4BAGERHRH3HTT
SCHEMBL23018505 0.88 LSS (0.49) ATP4AATP4BHRH3
SCHEMBL26759163 0.88 ATP4A (0.54) ATP4AATP4BAGERHRH3HTT
SCHEMBL21229110 0.85 ATP4A (0.48) ATP4AATP4BAGERHRH3
Hydrochloric Acid SCHEMBL21229136 0.84 ATP4A (0.52) ATP4AATP4BAGERHTT
Hydrochloric Acid SCHEMBL21229040 0.84 ATP4A (0.52) ATP4AATP4BAGERHTT
SCHEMBL23018516 0.82 LSS (0.40) ATP4AATP4B
SCHEMBL18667601 0.81 HRH3 (0.44) ATP4AATP4BAGERHRH3
SCHEMBL23018541 0.80 POLB (0.45) —
SCHEMBL26759220 0.77 ATP4A (0.48) ATP4AATP4B

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-3782626-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2021-02-24 — — EP disclosed
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