SCHEMBL31649235

SCHEMBL31649235

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.41
▸ CPS1 P31327 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ RORC P51449 3/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ MTNR1B P49286 2/20 0.36
▸ CTSD P07339 1/20 0.36
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL31649260 0.92 HTR2A (0.41) HTR2ACPS1MEN1KMT2ARORC
SCHEMBL31649051 0.91 HTR2A (0.40) HTR2ACPS1MEN1KMT2ARORC
SCHEMBL31649412 0.90 KMT2A (0.43) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL31649370 0.90 KMT2A (0.43) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL31649363 0.86 HTR2A (0.37) HTR2AMEN1KMT2ARORCADRB2
SCHEMBL31649296 0.86 HTR2A (0.40) HTR2AMEN1KMT2ARORCALDH1A1
SCHEMBL31649339 0.85 DPP4 (0.42) HTR2AALDH1A1OPRM1
SCHEMBL31649062 0.85 ALDH1A1 (0.38) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL31649393 0.83 TSHR (0.41) MEN1KMT2AALDH1A1POLBHTT
SCHEMBL31649406 0.82 KMT2A (0.40) MEN1KMT2AALDH1A1POLBHTT

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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