SCHEMBL20076201

SCHEMBL20076201

O=C1CCC(N2C(=O)c3cc(N4CCNCC4)c(F)cc3C2O)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.53
▸ DDB1 Q16531 9/20 0.39
▸ IKZF3 Q9UKT9 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TNF P01375 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TOP2A P11388 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TOP2B Q02880 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 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
SCHEMBL22873401 0.96 CRBN (0.53) CRBNDDB1IKZF3ALDH1A1CYP1A2
SCHEMBL22565718 0.87 CRBN (0.50) CRBNDDB1IKZF3ALDH1A1CYP1A2
SCHEMBL23138921 0.85 CRBN (0.47) CRBNDDB1IKZF3ALDH1A1CYP1A2
SCHEMBL26754973 0.84 CRBN (0.43) CRBNDDB1IKZF3TNFDRD2
SCHEMBL20046596 0.83 CRBN (0.51) CRBNDDB1IKZF3KDM4E
SCHEMBL22047521 0.82 CRBN (0.47) CRBNDDB1IKZF3ALDH1A1CYP1A2
SCHEMBL20233690 0.81 CRBN (0.54) CRBNDDB1IKZF3ALDH1A1CYP1A2
SCHEMBL22873398 0.81 CRBN (0.54) CRBNDDB1IKZF3ALDH1A1CYP1A2
SCHEMBL22565934 0.81 CRBN (0.47) CRBNDDB1IKZF3ALDH1A1CYP1A2
SCHEMBL24735327 0.81 CRBN (0.78) CRBNDDB1IKZF3ALDH1A1CYP1A2

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-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 — — WO disclosed
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