SCHEMBL30008961

SCHEMBL30008961

O=C1CCN(c2cc(C(=O)N3CCC(O[C@@H]4CCNC[C@H]4F)CC3)ccc2Cl)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.37
▸ BCL9 O00512 9/20 0.35
▸ CTNNB1 P35222 9/20 0.35
▸ MGLL Q99685 3/20 0.35
▸ PRKAA2 P54646 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPY1R P25929 1/20 0.32

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
SCHEMBL23122009 1.00 HSD11B1 (0.37) HSD11B1BCL9CTNNB1MGLLPRKAA2
Trifluoroacetic Acid SCHEMBL30009822 0.95 HSD11B1 (0.35) HSD11B1BCL9CTNNB1MGLLPRKAA2
SCHEMBL23121734 0.88 HSD11B1 (0.38) HSD11B1BCL9CTNNB1CRBN
SCHEMBL29816896 0.88 MGLL (0.39) HSD11B1BCL9CTNNB1MGLLTSHR
SCHEMBL23120508 0.88 MGLL (0.39) HSD11B1BCL9CTNNB1MGLLTSHR
Hydrochloric Acid SCHEMBL23121732 0.87 BCL9 (0.40) HSD11B1BCL9CTNNB1MGLLTSHR
Hydrochloric Acid SCHEMBL30009287 0.87 BCL9 (0.40) HSD11B1BCL9CTNNB1MGLLTSHR
SCHEMBL23123147 0.86 HSD11B1 (0.37) HSD11B1MGLLTSHRDDB1CRBN
SCHEMBL23121109 0.85 MGLL (0.40) HSD11B1MGLLTSHRDDB1CRBN
SCHEMBL23121717 0.84 DDB1 (0.40) HSD11B1BCL9CTNNB1TSHRDDB1

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
EP-4041724-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE Novartis AG (CH) 2022-08-17 — — EP disclosed
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