SCHEMBL24317467

SCHEMBL24317467

CCCN1CCCCC1CN(CC)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.50
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL24317465 0.90 OPRD1 (0.48) OPRD1RAB9A
SCHEMBL26619441 0.86 OPRD1 (0.51) OPRD1MEN1KMT2ARAB9AHTR1D
SCHEMBL24317470 0.85 ADRA2A (0.44) OPRD1MEN1KMT2AMAOB
SCHEMBL24315724 0.82 OPRD1 (0.48) OPRD1MEN1KMT2ARAB9A
SCHEMBL1719051 0.75 ALDH1A1 (0.48) —
SCHEMBL26619435 0.75 SIGMAR1 (0.50) OPRD1RAB9AHTR1DHTR1B
SCHEMBL12126130 0.74 OPRM1 (0.56) OPRD1MEN1KMT2A
SCHEMBL12126132 0.73 OPRM1 (0.54) OPRD1
SCHEMBL13061105 0.72 SIGMAR1 (0.43) OPRD1MEN1KMT2ARAB9AHTR1D
SCHEMBL13061092 0.72 SIGMAR1 (0.43) OPRD1MEN1KMT2ARAB9AHTR1D

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-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 — — WO disclosed
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