SCHEMBL23123241

SCHEMBL23123241

O=C1CCN(c2cccc(C(=O)N3CCC(O[C@@H]4CCN(C(=O)O)C[C@H]4F)CC3)c2)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 3/20 0.40
▸ CRBN Q96SW2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HCRTR1 O43613 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ F10 P00742 1/20 0.35
▸ HSD11B1 P28845 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL23134050 0.88 CRBN (0.42) DDB1CRBNALDH1A1TSHR
SCHEMBL23133980 0.88 DDB1 (0.38) DDB1CRBNALDH1A1TSHRHCRTR1
SCHEMBL28783614 0.88 DDB1 (0.47) DDB1CRBNALDH1A1TSHRHCRTR1
SCHEMBL23121717 0.86 DDB1 (0.40) DDB1CRBNALDH1A1TSHRHCRTR1
Hydrochloric Acid SCHEMBL23121758 0.85 DDB1 (0.40) DDB1CRBNALDH1A1TSHRHCRTR1
SCHEMBL23123147 0.84 HSD11B1 (0.37) DDB1CRBNTSHRHPGDMGLL
SCHEMBL23122908 0.84 CXCR3 (0.48) DDB1CRBNKMT2A
SCHEMBL23122387 0.83 NR3C1 (0.38) CRBNALDH1A1HSD11B1MEN1KMT2A
SCHEMBL23121669 0.81 DDB1 (0.46) DDB1CRBNALDH1A1TSHRHCRTR1
Hydrochloric Acid SCHEMBL23122759 0.81 DDB1 (0.46) DDB1CRBNALDH1A1TSHRHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114641473-A BRD9 bifunctional degradation agent and use method thereof 诺华股份有限公司 2022-06-17 — — CN disclosed
WO-2021055295-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-03-25 — — WO disclosed
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