SCHEMBL31649301

SCHEMBL31649301

COc1ccc(CN(C2CC2)[C@H](CCCCN2C(=O)c3ccccc3C2=O)C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ BCHE P06276 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ F2 P00734 1/20 0.38
▸ HTR1A P08908 4/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL31649320 0.98 NPSR1 (0.40) MAOBNPSR1TSHRMEN1KMT2A
SCHEMBL31649401 0.96 NPSR1 (0.41) MAOBNPSR1TSHRMEN1KMT2A
SCHEMBL31649408 0.90 MEN1 (0.41) NPSR1TSHRMEN1KMT2APOLB
SCHEMBL31649369 0.86 TSHR (0.39) NPSR1TSHRMEN1KMT2APOLB
SCHEMBL31649351 0.85 TSHR (0.39) NPSR1TSHRMEN1KMT2APOLB
SCHEMBL31649393 0.84 TSHR (0.41) NPSR1TSHRMEN1KMT2APOLB
SCHEMBL31648994 0.84 TSHR (0.40) NPSR1TSHRMEN1KMT2APOLB
SCHEMBL31649068 0.84 F2 (0.43) MEN1KMT2APOLBF2HTR1A
SCHEMBL31649434 0.83 TSHR (0.42) NPSR1TSHRMEN1KMT2APOLB
SCHEMBL31649370 0.83 KMT2A (0.43) NPSR1TSHRMEN1KMT2APOLB

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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