SCHEMBL31649005

SCHEMBL31649005

CNCC[C@H](C(=O)N1CCC[C@H]2CCCC[C@@H]21)N(Cc1ccc(OC)cc1OC)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.40
▸ KMT2A Q03164 9/20 0.40
▸ MEN1 O00255 7/20 0.40
▸ TSHR P16473 4/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ FKBP1A P62942 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
SCHEMBL31649455 0.92 KMT2A (0.41) SMN1; SMN2DPP7KMT2AMEN1TSHR
SCHEMBL31649243 0.92 KMT2A (0.41) SMN1; SMN2DPP7KMT2AMEN1TSHR
SCHEMBL31649393 0.91 TSHR (0.41) SMN1; SMN2DPP7KMT2AMEN1TSHR
SCHEMBL31648994 0.90 TSHR (0.40) SMN1; SMN2DPP7KMT2AMEN1TSHR
SCHEMBL31648985 0.90 DPP7 (0.43) SMN1; SMN2DPP7KMT2AMEN1TSHR
SCHEMBL31649434 0.89 TSHR (0.42) SMN1; SMN2DPP7KMT2AMEN1TSHR
SCHEMBL31649370 0.89 KMT2A (0.43) SMN1; SMN2DPP7KMT2AMEN1TSHR
SCHEMBL31649412 0.89 KMT2A (0.43) SMN1; SMN2DPP7KMT2AMEN1TSHR
SCHEMBL31649351 0.88 TSHR (0.39) SMN1; SMN2DPP7KMT2AMEN1TSHR
SCHEMBL31649406 0.88 KMT2A (0.40) SMN1; SMN2DPP7KMT2AMEN1TSHR

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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