SCHEMBL31066448

SCHEMBL31066448

COC(=O)c1nn2c(c1I)CC(C)(C)CC2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL31066451 0.75 ALDH1A1 (0.39) NPSR1
SCHEMBL31066470 0.74 LMNA (0.40) OPRM1
SCHEMBL31066442 0.71 DRD3 (0.34) NPSR1
SCHEMBL31066473 0.68 ALDH1A1 (0.38) OPRM1
SCHEMBL13262831 0.68 SYK (0.35) OPRM1NPSR1
SCHEMBL31158416 0.62 MAPK1 (0.42) NPSR1
SCHEMBL23414986 0.61 ALDH1A1 (0.48) NPSR1
SCHEMBL31066375 0.60 ALDH1A1 (0.42) NPSR1
SCHEMBL19876684 0.60 MGLL (0.35) NPSR1
SCHEMBL23645427 0.59 ALDH1A1 (0.39) NPSR1

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-2024182447-A1 COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K VIVIDION THERAPEUTICS, INC. (US) 2024-09-06 — — WO disclosed
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