SCHEMBL20076204

SCHEMBL20076204

O=C1CCC(N2Cc3cc(F)c(N4CCC(CN5CCN(c6ccc(C(=O)O)cc6)CC5)CC4)cc3C2=O)C(O)N1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 6/20 0.40
▸ ESR1 P03372 3/20 0.40
▸ HRH1 P35367 3/20 0.40
▸ CCR3 P51677 3/20 0.40
▸ KCNH2 Q12809 3/20 0.40
▸ IKZF2 Q9UKS7 2/20 0.35
▸ GAA P10253 1/20 0.33
▸ AR P10275 3/20 0.33
▸ BID P55957 1/20 0.32
▸ BCL2A1 Q16548 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ RORC P51449 2/20 0.32
▸ IKZF3 Q9UKT9 1/20 0.31

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
SCHEMBL25059027 0.97 CRBN (0.40) CRBNESR1HRH1CCR3KCNH2
SCHEMBL20046717 0.86 CRBN (0.54) CRBNESR1IKZF2IKZF3
SCHEMBL20046714 0.83 CRBN (0.54) CRBNESR1IKZF2IKZF3
SCHEMBL22692240 0.76 CRBN (0.58) CRBNESR1ARIKZF3
SCHEMBL22645533 0.76 IKZF2 (0.51) CRBNESR1IKZF2IKZF3
SCHEMBL22645537 0.76 IKZF2 (0.51) CRBNESR1IKZF2IKZF3
SCHEMBL22645559 0.76 CRBN (0.58) CRBNESR1IKZF2ARIKZF3
SCHEMBL22645556 0.76 CRBN (0.58) CRBNESR1IKZF2ARIKZF3
SCHEMBL22692241 0.75 CRBN (0.43) CRBNESR1HRH1CCR3KCNH2
SCHEMBL23051804 0.74 ESR1 (0.68) CRBNESR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660004-B1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS INC (US) 2023-02-22 — — EP disclosed
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 — — EP disclosed
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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