SCHEMBL31649339

SCHEMBL31649339

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.42
▸ FAP Q12884 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.42
▸ HTR2A P28223 1/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ HSD11B1 P28845 2/20 0.36
▸ OPRM1 P35372 2/20 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
SCHEMBL31649089 0.89 DPP4 (0.41) DPP4FAPDPP8DPP9DPP7
SCHEMBL31649151 0.86 ACHE (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL31649462 0.86 ACHE (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL31649412 0.86 KMT2A (0.43) DPP7ALDH1A1GAA
SCHEMBL31649370 0.86 KMT2A (0.43) DPP7ALDH1A1GAA
SCHEMBL31649235 0.85 HTR2A (0.41) HTR2AALDH1A1OPRM1
SCHEMBL31649062 0.81 ALDH1A1 (0.38) ALDH1A1HPGD
SCHEMBL31649016 0.80 HRH3 (0.36) DPP4ALDH1A1HRH3DRD2DRD4
SCHEMBL31649084 0.79 HSD11B1 (0.32) HSD11B1
SCHEMBL31649254 0.78 DRD2 (0.49) DPP4FAPDPP8DPP9DPP7

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 2 patents. 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 claimed
WO-2025132943-A1 DECAHYDROQUINOLINES AS DNA POLYMERASE THETA INHIBITORS BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO disclosed
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