SCHEMBL31649062

SCHEMBL31649062

COc1ccc(CN(C2CC2)[C@H](CO)C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(N2CCOCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.38
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PRKDC P78527 2/20 0.33
▸ FFAR1 O14842 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
SCHEMBL31649412 0.86 KMT2A (0.43) ALDH1A1KDM4EMAPK1HTTKMT2A
SCHEMBL31649370 0.86 KMT2A (0.43) ALDH1A1KDM4EMAPK1HTTKMT2A
SCHEMBL31649235 0.85 HTR2A (0.41) ALDH1A1L3MBTL1HTTKMT2AMEN1
SCHEMBL31649298 0.81 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL31649339 0.81 DPP4 (0.42) ALDH1A1HPGD
SCHEMBL31649393 0.79 TSHR (0.41) ALDH1A1MAPTKDM4EMAPK1HTT
SCHEMBL31649406 0.78 KMT2A (0.40) ALDH1A1KDM4EMAPK1HTTKMT2A
SCHEMBL31649053 0.78 KMT2A (0.40) ALDH1A1KDM4EMAPK1HTTKMT2A
SCHEMBL31649260 0.77 HTR2A (0.41) ALDH1A1L3MBTL1HTTKMT2AMEN1
SCHEMBL31649325 0.77 KMT2A (0.40) ALDH1A1KDM4EMAPK1HTTKMT2A

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