SCHEMBL31649181

SCHEMBL31649181

CCCCOC(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCC[C@H]2CCCC[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.47
▸ ACE2 Q9BYF1 2/20 0.47
▸ HTR1A P08908 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ MMP9 P14780 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DPP4 P27487 2/20 0.38
▸ DPP8 Q6V1X1 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 2/20 0.37

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 0.96 ACE (0.46) ACEACE2HTR1AHTR7HRH1
SCHEMBL31649424 0.95 ACE (0.46) ACEACE2HTR1AHTR7HRH1
SCHEMBL31649159 0.85 ACE (0.44) ACEHTR1AHTR7HRH1DRD3
SCHEMBL31649439 0.81 HTR1A (0.44) ACEHTR1AHTR7HRH1DRD3
SCHEMBL31649210 0.80 ACE (0.47) ACEACE2HRH1ELANENPC1
Hydrochloric Acid SCHEMBL31649337 0.77 F2 (0.41) ACEHTR1AHTR7HRH1DRD3
SCHEMBL31649228 0.77 ACE (0.45) ACEACE2ELANENPC1RAB9A
SCHEMBL31649212 0.76 ACE (0.47) ACEACE2ELANENPC1RAB9A
SCHEMBL31649265 0.76 ACE (0.45) ACEELANENPC1RAB9ASMN1; SMN2
SCHEMBL31649183 0.75 DPP7 (0.51) HTR1AHTR7HRH1DRD3HTR2B

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