SCHEMBL9774332

SCHEMBL9774332

O=C([C@@H]1C[C@H]2CCCCC2N1C(=O)CCCc1ccccc1)N1CCC[C@H]1CO

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
PREP P48147 9/20 0.49

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
SCHEMBL9774313 0.98 MEN1 (0.50) MEN1NPC1RAB9AKMT2APREP
SCHEMBL9774314 0.86 PREP (0.49) MEN1NPC1RAB9AKMT2APREP
SCHEMBL9774157 0.86 PREP (0.49) MEN1NPC1RAB9AKMT2APREP
SCHEMBL9774318 0.85 PREP (0.51) MEN1NPC1RAB9AKMT2APREP
SCHEMBL9774286 0.84 PREP (0.48) MEN1NPC1RAB9AKMT2APREP
SCHEMBL9180223 0.83 PREP (0.66) PREP
SCHEMBL8796594 0.83 PREP (0.66) PREP
SCHEMBL8796601 0.83 PREP (0.66) PREP
SCHEMBL10515667 0.83 HRH1 (0.42) MEN1NPC1RAB9AKMT2APREP
SCHEMBL10516043 0.82 FKBP1A (0.46) MEN1NPC1RAB9AKMT2APREP

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
US-4983623-A Prolyl endopeptidase inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-08 US disclosed