SCHEMBL31649424

SCHEMBL31649424

CCCCOC(=O)N[C@H](CCCCN1C(=O)c2ccccc2C1=O)C(=O)N1CCC[C@H]2CCCC[C@@H]21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.46
▸ ACE2 Q9BYF1 2/20 0.46
▸ DRD3 P35462 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ DPP4 P27487 2/20 0.40
▸ DPP8 Q6V1X1 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PRCP P42785 1/20 0.38
▸ PREP P48147 1/20 0.38
▸ FAP Q12884 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL31649445 0.97 ACE (0.46) ACEACE2DRD3HTR1AHTR7
SCHEMBL31649181 0.95 ACE (0.47) ACEACE2DRD3HTR1AHTR7
SCHEMBL31649439 0.86 HTR1A (0.44) ACEDRD3HTR1AHTR7HRH1
SCHEMBL31649159 0.80 ACE (0.44) ACEDRD3HTR1AHTR7HRH1
Hydrochloric Acid SCHEMBL31649337 0.79 F2 (0.41) ACEDRD3HTR1AHTR7HRH1
SCHEMBL31649210 0.79 ACE (0.47) ACEACE2HRH1DPP4DPP8
Hydrochloric Acid SCHEMBL31649106 0.76 HTR1A (0.52) DRD3HTR1AHTR7HRH1HTR2B
SCHEMBL31649228 0.76 ACE (0.45) ACEACE2DPP4ALDH1A1POLB
SCHEMBL31649265 0.74 ACE (0.45) ACEMAPK1ELANENPC1RAB9A
Hydrochloric Acid SCHEMBL31649315 0.73 DPP4 (0.52) DRD3HTR1AHTR7HRH1HTR2B

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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