SCHEMBL31316620

SCHEMBL31316620

CC(C)(C)OC(=O)N1CCC(C)(Oc2ccc(Cl)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ STS P08842 2/20 0.46
▸ DRD2 P14416 6/20 0.45
▸ CYP11B2 P19099 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ VEGFA P15692 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ SCD5 Q86SK9 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
SCHEMBL17848504 0.88 NR1H2 (0.45) CYP11B2HTTUSP30ALDH1A1SCD5
SCHEMBL17848673 0.87 USP30 (0.48) DRD2CYP11B2USP30SCD5
SCHEMBL17848342 0.84 ALDH1A1 (0.57) MEN1KMT2ACYP11B2SMN1; SMN2ALDH1A1
SCHEMBL31117881 0.81 MEN1 (0.53) MEN1KMT2ASTSHTTSMN1; SMN2
SCHEMBL17848728 0.81 NR1H2 (0.44) MEN1KMT2ACYP11B2HTTUSP30
SCHEMBL23311683 0.80 HDAC2 (0.49) MEN1KMT2AALDH1A1
SCHEMBL17848649 0.80 NR1H2 (0.47) HTTALDH1A1
SCHEMBL26246633 0.80 RORC (0.46) ALDH1A1
SCHEMBL25289227 0.79 MEN1 (0.43) MEN1KMT2ACYP11B2SMN1; SMN2USP30
SCHEMBL17848609 0.79 GPR119 (0.50) STSCYP11B2SMN1; SMN2USP30ALDH1A1

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-2025010311-A1 UREA-CONTAINING AGONISTS OF OREXIN RECEPTOR TYPE 2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-01-09 — — WO disclosed
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