SCHEMBL31661187

SCHEMBL31661187

O=C1CCC2(COc3c(N4CCNCC4)cccc32)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.43
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
DRD4 P21917 1/20 0.40
HTR6 P50406 8/20 0.40
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL31661179 0.80 CRBN (0.41)
SCHEMBL31661222 0.75 HTR3E (0.34) ADRB1DRD2DRD3DRD4
SCHEMBL31661169 0.74 MAPKAPK2 (0.38) ADRB1DRD3HTR6
SCHEMBL31661183 0.70 ADRB1 (0.46) ADRB1DRD2DRD3HTR6
SCHEMBL5371717 0.69 ADRB1 (0.48) ADRB1DRD2DRD3DRD4HTR6
SCHEMBL31543858 0.68 CRBN (0.45) DRD2DRD3DRD4
SCHEMBL252278 0.67 DRD2 (0.60) ADRB1DRD2DRD3DRD4HTR6
SCHEMBL5371496 0.64 ADRB1 (0.58) ADRB1DRD2DRD3HTR6
SCHEMBL5373529 0.64 ADRB1 (0.44) ADRB1DRD2DRD3DRD4HTR6
SCHEMBL11194827 0.64 DRD2 (0.49) ADRB1DRD2DRD3DRD4HTR6

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-2025151602-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-07-17 WO disclosed