SCHEMBL31648985

SCHEMBL31648985

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 9/20 0.38
▸ MEN1 O00255 7/20 0.37
▸ TSHR P16473 4/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ FKBP1A P62942 1/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ TACR1 P25103 1/20 0.34

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
SCHEMBL31649008 0.93 DPP7 (0.39) DPP7SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL31649005 0.90 SMN1; SMN2 (0.41) DPP7SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL31649273 0.88 DPP7 (0.39) DPP7SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL31649276 0.88 DPP7 (0.39) DPP7SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL31649393 0.87 TSHR (0.41) DPP7SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL31649243 0.86 KMT2A (0.41) DPP7SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL31648994 0.86 TSHR (0.40) DPP7SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL31649455 0.86 KMT2A (0.41) DPP7SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL31649434 0.86 TSHR (0.42) DPP7SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL31649412 0.85 KMT2A (0.43) DPP7SMN1; SMN2KMT2AMEN1TSHR

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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