SCHEMBL31649352

SCHEMBL31649352

COc1ccc(CN[C@H](CO)C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ ADRB2 P07550 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ CPS1 P31327 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ CTSD P07339 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MCHR1 Q99705 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
SCHEMBL31649382 0.85 KMT2A (0.38) ALDH1A1ADRB2MEN1KMT2ACPS1
SCHEMBL31649458 0.84 ALDH1A1 (0.47) ALDH1A1KMT2AHSD11B1EPHX2
SCHEMBL31649113 0.84 TACR1 (0.39) ALDH1A1MEN1KMT2APOLBKDM1A
SCHEMBL31649298 0.84 ALDH1A1 (0.38) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL31649410 0.80 KMT2A (0.45) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL31649178 0.80 KMT2A (0.45) ALDH1A1MEN1KMT2APOLB
SCHEMBL31649429 0.79 CD274 (0.42) —
SCHEMBL31649428 0.79 KMT2A (0.45) ALDH1A1MEN1KMT2APOLB
SCHEMBL31649235 0.79 HTR2A (0.41) ALDH1A1ADRB2MEN1KMT2ACPS1
SCHEMBL31649033 0.79 KMT2A (0.36) ALDH1A1MEN1KMT2AEPHX2

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-2025132943-A1 DECAHYDROQUINOLINES AS DNA POLYMERASE THETA INHIBITORS BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO disclosed
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