SCHEMBL31649393

SCHEMBL31649393

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 9/20 0.40
▸ MEN1 O00255 7/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ DPP7 Q9UHL4 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ BTK Q06187 1/20 0.37
▸ MAPT P10636 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
SCHEMBL31649412 0.93 KMT2A (0.43) TSHRMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL31649370 0.93 KMT2A (0.43) TSHRMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL31648994 0.92 TSHR (0.40) TSHRMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL31649434 0.91 TSHR (0.42) TSHRMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL31649005 0.91 SMN1; SMN2 (0.41) TSHRMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL31649351 0.91 TSHR (0.39) TSHRMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL31649406 0.90 KMT2A (0.40) TSHRMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL31649053 0.90 KMT2A (0.40) TSHRMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL31649046 0.90 KMT2A (0.39) TSHRMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL31649369 0.90 TSHR (0.39) TSHRMAPK1KMT2AMEN1SMN1; SMN2

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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