SCHEMBL31649206

SCHEMBL31649206

CN(Cc1ccccc1)C[C@H](C(=O)N1CCC[C@H]2CCCC[C@@H]21)N(Cc1ccc(F)cc1F)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ HTR2A P28223 8/20 0.37
▸ HSD11B1 P28845 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ RORC P51449 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
SCHEMBL31649296 0.91 HTR2A (0.40) KDM4EALDH1A1HTR2AHSD11B1SIGMAR1
SCHEMBL31649065 0.85 TACR1 (0.39) KDM4EALDH1A1DPP4DPP9HSD11B1
SCHEMBL31649221 0.84 HSD11B1 (0.40) KDM4EHSD11B1
SCHEMBL31649185 0.83 ALDH1A1 (0.46) KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL31649158 0.83 ALDH1A1 (0.46) KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL31649284 0.83 HSD11B1 (0.39) ALDH1A1DPP4HTR2AHSD11B1SLC6A2
SCHEMBL31649444 0.83 BCHE (0.41) OPRM1KDM4EALDH1A1HSD11B1SIGMAR1
SCHEMBL31649462 0.81 ACHE (0.43) OPRM1DPP4DPP9DPP7HSD11B1
SCHEMBL31649151 0.81 ACHE (0.43) OPRM1DPP4DPP9DPP7HSD11B1
SCHEMBL31649409 0.80 RORC (0.40) HSD11B1RORC

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 1 patent. 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 disclosed
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