SCHEMBL23551789

SCHEMBL23551789

CCCC(Nc1ccc(C2CCN(CC(=O)O)CC2)cc1)C(=O)NC=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 3/20 0.41
▸ DRD2 P14416 5/20 0.39
▸ DRD4 P21917 4/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ CCR2 P41597 2/20 0.37
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL23551374 0.87 NAMPT (0.37) CCR1DRD2DRD4DRD3CCR2
SCHEMBL23551470 0.86 CCR1 (0.43) CCR1CCR2SLC18A3NPC1
SCHEMBL23551428 0.84 DGAT1 (0.40) ALDH1A1
SCHEMBL23551340 0.82 JAK2 (0.43) DRD2DRD4DRD3JAK2SYK
SCHEMBL24491308 0.69 KDM1A (0.42) ALDH1A1
SCHEMBL24125721 0.68 DRD4 (0.54) DRD4
SCHEMBL7202138 0.68 SLC18A3 (0.62) DRD2DRD4DRD3SLC18A3ALDH1A1
SCHEMBL15652766 0.67 SLC18A3 (0.48) DRD2DRD4DRD3JAK2SYK
SCHEMBL23816922 0.66 SLC18A3 (0.60) DRD2DRD4DRD3SLC18A3ALDH1A1
SCHEMBL26162034 0.66 JAK2 (0.42) DRD2DRD4DRD3JAK2SYK

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-2021127561-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR C4 THERAPEUTICS, INC. (US) 2021-06-24 — — WO disclosed
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