SCHEMBL31649223

SCHEMBL31649223

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ KMT2A Q03164 8/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ TSHR P16473 5/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL31649434 0.91 TSHR (0.42) SLC6A2SLC6A4KMT2AMEN1TSHR
SCHEMBL31649412 0.91 KMT2A (0.43) SLC6A2SLC6A4KMT2AMEN1TSHR
SCHEMBL31649370 0.91 KMT2A (0.43) SLC6A2SLC6A4KMT2AMEN1TSHR
SCHEMBL31649053 0.90 KMT2A (0.40) SLC6A2SLC6A4KMT2AMEN1TSHR
SCHEMBL31649406 0.90 KMT2A (0.40) SLC6A2SLC6A4KMT2AMEN1TSHR
SCHEMBL31649046 0.90 KMT2A (0.39) SLC6A2SLC6A4KMT2AMEN1TSHR
SCHEMBL31649325 0.90 KMT2A (0.40) SLC6A2SLC6A4KMT2AMEN1TSHR
SCHEMBL31649393 0.90 TSHR (0.41) SLC6A2SLC6A4KMT2AMEN1TSHR
SCHEMBL31649243 0.89 KMT2A (0.41) SLC6A2SLC6A4KMT2AMEN1TSHR
SCHEMBL31649455 0.89 KMT2A (0.41) SLC6A2SLC6A4KMT2AMEN1TSHR

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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