SCHEMBL23134075

SCHEMBL23134075

CCCn1cc(-c2ccc(CN3CCC(OC4CCN(C(=O)c5cccc(N6CCC(=O)NC6=O)c5)CC4)CC3)cc2)c(C)c(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 2/20 0.40
▸ CRBN Q96SW2 2/20 0.40
▸ CXCR3 P49682 4/20 0.39
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 3/20 0.34
▸ ADRB2 P07550 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MLNR O43193 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ HPN P05981 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ HGFAC Q04756 1/20 0.33
▸ ST14 Q9Y5Y6 1/20 0.33

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
SCHEMBL23123669 0.93 CXCR3 (0.35) DDB1CRBNCXCR3GAAKMT2A
SCHEMBL23121650 0.80 CYP3A4 (0.43) DDB1CRBNKMT2AMEN1CYP3A4
SCHEMBL23134742 0.80 DDB1 (0.44) DDB1CRBNCXCR3GAAALDH1A1
SCHEMBL23123672 0.79 GAA (0.34) GAAKMT2AMEN1ALDH1A1MLNR
SCHEMBL30009465 0.77 CYP3A4 (0.40) KMT2AMEN1CYP3A4
SCHEMBL23121674 0.77 CYP3A4 (0.40) KMT2AMEN1CYP3A4
SCHEMBL23133973 0.76 DDB1 (0.44) DDB1CRBNALDH1A1
SCHEMBL23121685 0.76 BRD4 (0.42) KMT2AMEN1KDM4EALDH1A1
SCHEMBL30009142 0.75 CYP3A4 (0.42) CYP3A4
SCHEMBL28783614 0.74 DDB1 (0.47) DDB1CRBNKMT2AMEN1KDM4E

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-2021055295-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-03-25 — — WO disclosed
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