SCHEMBL24409148

SCHEMBL24409148

c1nncc2c1CC1(CCNCC1)O2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.35
▸ HDAC3 O15379 3/20 0.33
▸ HDAC4 P56524 3/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ HDAC7 Q8WUI4 3/20 0.33
▸ HDAC2 Q92769 3/20 0.33
▸ HDAC10 Q969S8 3/20 0.33
▸ HDAC11 Q96DB2 3/20 0.33
▸ HDAC8 Q9BY41 3/20 0.33
▸ HDAC6 Q9UBN7 3/20 0.33
▸ HDAC9 Q9UKV0 3/20 0.33
▸ HDAC5 Q9UQL6 3/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.31

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
SCHEMBL24408805 0.78 CHRNB2 (0.43) OPRD1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23811371 0.78 CHRNB2 (0.43) OPRD1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29634720 0.76 IRAK4 (0.34) OPRD1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24408905 0.76 IRAK4 (0.34) OPRD1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24408815 0.76 IRAK4 (0.34) OPRD1HDAC3HDAC4HDAC1HDAC7
SCHEMBL231585 0.73 OPRD1 (0.49) OPRD1
SCHEMBL29634701 0.72 IRAK4 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24408808 0.72 IRAK4 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24408844 0.72 IRAK4 (0.36) IRAK4
Hydrochloric Acid SCHEMBL10502202 0.71 OPRD1 (0.48) OPRD1

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
WO-2022095971-A1 SPIRO HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海医药集团股份有限公司 2022-05-12 — — WO disclosed
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