SCHEMBL31649309

SCHEMBL31649309

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ PRSS1 P07477 1/20 0.39
▸ APP P05067 1/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL31649407 0.91 ALDH1A1 (0.41) ALDH1A1HRH3MEN1KMT2APRSS1
SCHEMBL31649442 0.90 PRSS1 (0.41) HRH3MEN1KMT2APRSS1TACR1
SCHEMBL31649427 0.88 ALDH1A1 (0.46) ALDH1A1POLBMEN1KMT2ATACR1
SCHEMBL31649113 0.88 TACR1 (0.39) ALDH1A1POLBMEN1KMT2ATACR1
SCHEMBL31649336 0.84 TACR1 (0.47) MEN1KMT2ATACR1
SCHEMBL31649458 0.83 ALDH1A1 (0.47) ALDH1A1HRH3KMT2A
SCHEMBL31649151 0.82 ACHE (0.43) ACHECCR5OPRM1CCR1HTT
SCHEMBL31649462 0.82 ACHE (0.43) ACHECCR5OPRM1CCR1HTT
SCHEMBL31649413 0.79 DPP4 (0.49) PRSS1TACR1
SCHEMBL31649269 0.79 DPP4 (0.49) PRSS1TACR1

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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