SCHEMBL30822450

SCHEMBL30822450

Cn1nc(N2CCC(=O)NC2=O)c2ccc(C3CCN(CCCCCC(=O)OC(C)(C)C)CC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 7/20 0.49
▸ CRBN Q96SW2 7/20 0.49
▸ HTR4 Q13639 2/20 0.37
▸ HTR7 P34969 4/20 0.35
▸ MCHR1 Q99705 2/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ HDAC8 Q9BY41 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
SCHEMBL23551327 0.90 DDB1 (0.52) DDB1CRBNHTR4CNR1TLR9
SCHEMBL30822466 0.89 DDB1 (0.53) DDB1CRBNHTR7MCHR1TLR9
SCHEMBL30258186 0.88 DDB1 (0.50) DDB1CRBNMCHR1TLR9TLR8
SCHEMBL30915055 0.86 DDB1 (0.47) DDB1CRBN
SCHEMBL30822442 0.86 DDB1 (0.50) DDB1CRBNHTR4HTR7SLC6A3
SCHEMBL30822367 0.85 DDB1 (0.51) DDB1CRBNHTR4SLC6A3
SCHEMBL23538562 0.84 DDB1 (0.55) DDB1CRBNCNR1HRH3
SCHEMBL29946867 0.83 DDB1 (0.54) DDB1CRBNCNR1HRH3
SCHEMBL30703654 0.82 DDB1 (0.48) DDB1CRBNCNR1HRH3
SCHEMBL23539355 0.81 DDB1 (0.49) DDB1CRBN

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
EP-4565585-A1 COMPOUNDS FOR MODULATING RET PROTEIN Bristol-Myers Squibb Company (US) 2025-06-11 — — EP disclosed
WO-2024030968-A1 COMPOUNDS FOR MODULATING RET PROTEIN BRYSTOL-MYERS SQUIBB COMPANY (US) 2024-02-08 — — WO disclosed
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