SCHEMBL31649210

SCHEMBL31649210

CCCCOC(=O)N[C@H](CO)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
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ ITGB3 P05106 3/20 0.36
▸ ITGA2B P08514 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ELANE P08246 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL31649228 0.87 ACE (0.45) ACEACE2ITGB3ITGA2BNPC1
SCHEMBL31649181 0.80 ACE (0.47) ACEACE2HRH1NPC1RAB9A
SCHEMBL31649445 0.80 ACE (0.46) ACEACE2HRH1NPC1RAB9A
SCHEMBL31649212 0.79 ACE (0.47) ACEACE2ITGB3ITGA2BNPC1
SCHEMBL31649424 0.79 ACE (0.46) ACEACE2HRH1NPC1RAB9A
SCHEMBL31649426 0.75 DPP7 (0.42) ACEHRH2HRH1ITGB3ITGA2B
SCHEMBL9705358 0.72 ACE (0.61) ACEACE2HRH1MAPTL3MBTL1
SCHEMBL9705353 0.72 ACE (0.61) ACEACE2HRH1MAPTL3MBTL1
SCHEMBL7324427 0.70 ACE (0.57) ACEACE2L3MBTL1DPP7DPP4
SCHEMBL31649458 0.70 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2KMT2ADPP7

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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