SCHEMBL30267288

SCHEMBL30267288

[2H]N1CCC2(CC1)CCN(C(=O)c1ccc(Cl)c(N3CCC(=O)NC3=O)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GABRD O14764 3/20 0.41
▸ GABRA1 P14867 3/20 0.41
▸ GABRB1 P18505 3/20 0.41
▸ GABRA5 P31644 3/20 0.41
▸ GABRA3 P34903 3/20 0.41
▸ GABRA2 P47869 3/20 0.41
▸ GABRB2 P47870 3/20 0.41
▸ GABRA4 P48169 3/20 0.41
▸ HPGD P15428 1/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ ATXN2 Q99700 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ MGLL Q99685 1/20 0.36

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
SCHEMBL25596266 0.92 GABRD (0.51) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30014379 0.92 GABRD (0.51) GABRDGABRA1GABRB1GABRA5GABRA3
Hydrochloric Acid SCHEMBL30864123 0.91 GABRD (0.50) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30014819 0.89 HPGD (0.43) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL25920215 0.88 MAPK1 (0.48) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL26100334 0.86 NAMPT (0.41) GABRDGABRA1GABRB1GABRA5GABRA3
Trifluoroacetic Acid SCHEMBL31161877 0.86 GABRD (0.46) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30392608 0.84 HPGD (0.44) HPGDKMT2APKMCRBN
SCHEMBL25213849 0.83 CHRM2 (0.41) KMT2ACHRM2CHRM3
SCHEMBL28978062 0.83 MGLL (0.39) GABRDGABRA1GABRB1GABRA5GABRA3

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-2023025159-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海领泰生物医药科技有限公司 2023-03-02 — — WO disclosed
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