SCHEMBL31649462

SCHEMBL31649462

COc1ccc(CN(C2CC2)[C@H](CN(C)Cc2ccccc2)C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.43
▸ OPRM1 P35372 2/20 0.40
▸ CCR5 P51681 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ UBE2M P61081 2/20 0.39
▸ DCUN1D1 Q96GG9 2/20 0.39
▸ KCNA5 P22460 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ FAP Q12884 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ LTA4H P09960 1/20 0.37

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
SCHEMBL31649151 1.00 ACHE (0.43) ACHEOPRM1CCR5CHRM5HTT
SCHEMBL31649409 0.91 RORC (0.40) ACHEHSD11B1LTA4H
SCHEMBL31649221 0.90 HSD11B1 (0.40) UBE2MDCUN1D1HSD11B1
SCHEMBL31649158 0.89 ALDH1A1 (0.46) —
SCHEMBL31649185 0.89 ALDH1A1 (0.46) —
SCHEMBL31649296 0.89 HTR2A (0.40) CCR5KCNA5HSD11B1SIGMAR1
SCHEMBL31649339 0.86 DPP4 (0.42) OPRM1DPP4FAPDPP8DPP9
SCHEMBL31649065 0.85 TACR1 (0.39) DPP4FAPDPP8DPP9HSD11B1
SCHEMBL31649089 0.84 DPP4 (0.41) OPRM1UBE2MDCUN1D1DPP4FAP
SCHEMBL31649309 0.82 ACHE (0.43) ACHEOPRM1CCR5HTTCCR1

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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