SCHEMBL31649400

SCHEMBL31649400

CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]2CCCC[C@@H]21.N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]2CCCC[C@@H]21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.53
▸ DPP7 Q9UHL4 1/20 0.48
▸ TRHR P34981 1/20 0.46
▸ REN P00797 15/20 0.44
▸ PGC P20142 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.42
▸ NLN Q9BYT8 1/20 0.41

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
SCHEMBL31649037 0.85 DPP4 (0.71) DPP4DPP7TRHRRENNLN
SCHEMBL27210404 0.83 TRHR (0.54) DPP4TRHRRENPGCACE2
SCHEMBL27210409 0.83 TRHR (0.54) DPP4TRHRRENPGCACE2
SCHEMBL30839651 0.82 TRHR (0.53) DPP4TRHRRENPGCACE2
SCHEMBL31649426 0.78 DPP7 (0.42) DPP4DPP7
SCHEMBL31649357 0.76 DPP7 (0.40) DPP4DPP7
SCHEMBL30839655 0.73 DPP4 (0.66) DPP4DPP7TRHRRENNLN
SCHEMBL31649255 0.73 DPP7 (0.46) DPP4DPP7
SCHEMBL1132649 0.72 ITGB2 (0.57) REN
SCHEMBL18878768 0.72 REN (0.49) REN

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
Send feedback