SCHEMBL31569643

SCHEMBL31569643

CC(C)(C)OC(=O)N1CCN(Cc2nc3cc(Br)ccc3o2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
TP53 P04637 1/20 0.44
BACE1 P56817 5/20 0.43
TBK1 Q9UHD2 4/20 0.42
AKR1B1 P15121 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 1/20 0.41
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41
IKBKE Q14164 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL31569995 0.92 TP53 (0.51) GPR119TP53BACE1TBK1AKR1B1
SCHEMBL9963101 0.85 CHRM2 (0.50) PIK3CAGPR119TP53TBK1CHRM2
SCHEMBL25400235 0.82 PIK3CA (0.51) PIK3CABACE1
SCHEMBL23932501 0.80 NAMPT (0.46) GPR119TP53TBK1
SCHEMBL29891575 0.78 GPR119 (0.48) GPR119TP53
SCHEMBL23411511 0.78 GPR119 (0.47) PIK3CAGPR119BACE1
SCHEMBL29891529 0.78 GPR119 (0.47) PIK3CAGPR119BACE1
SCHEMBL14157426 0.78 GPR119 (0.48) GPR119TP53
SCHEMBL31569595 0.78 DDB1 (0.55) PIK3CAGPR119
SCHEMBL29437047 0.78 ALDH1A1 (0.48) PIK3CAGPR119BACE1ALDH1A1NPC1

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-2025101588-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. (US) 2025-05-15 WO disclosed