SCHEMBL22904409

SCHEMBL22904409

CC(C)(C)OC(=O)NCCCCCC#Cc1ccc(Oc2cccc3c2C(=O)NC(=O)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.41
▸ ADORA3 P0DMS8 7/20 0.40
▸ DDB1 Q16531 2/20 0.38
▸ CRBN Q96SW2 2/20 0.38
▸ CA12 O43570 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ MMP1 P03956 2/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ ADAM17 P78536 2/20 0.37
▸ PTPN11 Q06124 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
SCHEMBL22904408 0.97 DRD2 (0.42) DRD2ADORA3DDB1CRBNCA12
SCHEMBL22904412 0.92 DDB1 (0.42) DRD2ADORA3DDB1CRBNCA12
SCHEMBL22904410 0.92 DDB1 (0.42) DRD2ADORA3DDB1CRBNCA12
SCHEMBL22904102 0.89 DDB1 (0.43) DRD2ADORA3DDB1CRBNCA1
SCHEMBL22904570 0.88 DDB1 (0.43) DRD2ADORA3DDB1CRBN
SCHEMBL22904572 0.88 DDB1 (0.43) DRD2ADORA3DDB1CRBN
SCHEMBL22904279 0.86 DRD2 (0.42) DRD2CA12CA1CA2CA9
SCHEMBL22904277 0.86 DRD2 (0.42) DRD2CA12CA1CA2CA9
SCHEMBL22904407 0.86 DRD2 (0.42) DRD2CA12CA1CA2CA9
SCHEMBL22904406 0.84 DRD2 (0.43) DRD2CA12CA1CA2CA9

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-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 — — WO disclosed
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