SCHEMBL31649089

SCHEMBL31649089

CNC[C@H](C(=O)N1CCC[C@H]2CCCC[C@@H]21)N(Cc1ccc(OC)cc1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ FAP Q12884 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ CCR1 P32246 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ HSD11B1 P28845 2/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ YAP1 P46937 1/20 0.36
▸ TEAD4 Q15561 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ UBE2M P61081 1/20 0.36
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MMP1 P03956 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
SCHEMBL31649016 0.91 HRH3 (0.36) DPP4HRH3ALDH1A1HSD11B1
SCHEMBL31649339 0.89 DPP4 (0.42) DPP4HRH3FAPDPP8DPP9
SCHEMBL31649010 0.89 HSD11B1 (0.38) CCR1ALDH1A1HSD11B1UBE2MDCUN1D1
SCHEMBL31649243 0.87 KMT2A (0.41) DPP7ALDH1A1
SCHEMBL31649455 0.87 KMT2A (0.41) DPP7ALDH1A1
SCHEMBL31649051 0.86 HTR2A (0.40) ALDH1A1HTR2AOPRM1
SCHEMBL31649462 0.84 ACHE (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL31649151 0.84 ACHE (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL31649304 0.80 NPC1 (0.39) DPP4FAPDPP8DPP9HSD11B1
SCHEMBL31649284 0.78 HSD11B1 (0.39) DPP4DPP8ALDH1A1HSD11B1HTR2A

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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