SCHEMBL31649409

SCHEMBL31649409

CN(Cc1ccccc1)C[C@H](C(=O)N1CCC[C@H]2CCCC[C@@H]21)N(Cc1ccc(OC2CC2)cc1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HRH3 Q9Y5N1 4/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ LTA4H P09960 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ CPT2 P23786 1/20 0.36
▸ CPT1A P50416 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 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
SCHEMBL31649151 0.91 ACHE (0.43) HSD11B1LTA4HACHE
SCHEMBL31649462 0.91 ACHE (0.43) HSD11B1LTA4HACHE
SCHEMBL31649221 0.89 HSD11B1 (0.40) MEN1KMT2AHRH3HSD11B1CPT2
SCHEMBL31649016 0.84 HRH3 (0.36) MEN1KMT2AHRH3HSD11B1FAAH
SCHEMBL31649065 0.83 TACR1 (0.39) MEN1KMT2AHSD11B1CPT2CPT1A
SCHEMBL31649407 0.83 ALDH1A1 (0.41) RORCMEN1KMT2AHRH3HSD11B1
SCHEMBL31649185 0.83 ALDH1A1 (0.46) MEN1KMT2APOLBNPC1
SCHEMBL31649158 0.83 ALDH1A1 (0.46) MEN1KMT2APOLBNPC1
SCHEMBL31649296 0.82 HTR2A (0.40) RORCMEN1KMT2AHSD11B1POLB
SCHEMBL31649206 0.80 OPRM1 (0.39) RORCHSD11B1

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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