SCHEMBL31649407

SCHEMBL31649407

CN(Cc1ccccc1)C[C@@H](NCc1ccc(OC2CC2)cc1)C(=O)N1CCC[C@H]2CCCC[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ RORC P51449 4/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ FAAH O00519 1/20 0.38
▸ TACR1 P25103 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ CPT2 P23786 1/20 0.36
▸ CPT1A P50416 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
SCHEMBL31649309 0.91 ACHE (0.43) ALDH1A1PRSS1TACR1MEN1KMT2A
SCHEMBL31649442 0.89 PRSS1 (0.41) PRSS1TACR1MEN1KMT2APRMT5
SCHEMBL31649409 0.83 RORC (0.40) RORCFAAHMEN1KMT2AHRH3
SCHEMBL31649336 0.82 TACR1 (0.47) TACR1MEN1KMT2AHSD11B1NPC1
SCHEMBL31649427 0.82 ALDH1A1 (0.46) ALDH1A1TACR1MEN1KMT2ANPC1
SCHEMBL31649113 0.81 TACR1 (0.39) ALDH1A1TACR1MEN1KMT2APRMT5
SCHEMBL31649444 0.79 BCHE (0.41) ALDH1A1TACR1HSD11B1NPC1RAB9A
SCHEMBL31649391 0.77 ACE (0.50) PRSS1KMT2A
SCHEMBL31649413 0.76 DPP4 (0.49) PRSS1TACR1HSD11B1NPC1RAB9A
SCHEMBL31649269 0.76 DPP4 (0.49) PRSS1TACR1HSD11B1NPC1RAB9A

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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