SCHEMBL23018516

SCHEMBL23018516

CNCc1cnc(-c2ccc(OCCCN(C)C3CC3)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 4/20 0.40
▸ ATP4A P20648 8/20 0.36
▸ ATP4B P51164 8/20 0.36
▸ LTA4H P09960 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CXCR1 P25024 2/20 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
SCHEMBL26759233 0.88 LSS (0.42) LSSATP4AATP4BLMNAMAPT
SCHEMBL21229103 0.87 LSS (0.44) LSSATP4AATP4BLTA4H
SCHEMBL23018505 0.86 LSS (0.49) LSSATP4AATP4BCXCR1
Hydrochloric Acid SCHEMBL20493797 0.86 LSS (0.43) LSSATP4AATP4BLTA4HLMNA
SCHEMBL23018416 0.86 GRIN2B (0.40) RAB9A
SCHEMBL18667083 0.83 LSS (0.41) LSSLTA4H
SCHEMBL23018555 0.82 ATP4A (0.51) ATP4AATP4B
SCHEMBL21229112 0.73 SPHK1 (0.44) LSS
SCHEMBL26759382 0.73 GRIN2B (0.42) MAPTRAB9A
SCHEMBL26759119 0.73 KDM4E (0.53) LSSATP4AATP4BLMNAMAPT

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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