SCHEMBL22689397

SCHEMBL22689397

CCCCOC(=O)N(C)C(C)C=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
HCAR2 Q8TDS4 3/20 0.40
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CTSK P43235 1/20 0.36
NAAA Q02083 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL3616874 0.80 ALDH1A1 (0.47) ATMALDH1A1HPGDTSHRHCAR2
SCHEMBL3059935 0.77 ALDH1A1 (0.44) ATMALDH1A1HPGDTSHRHCAR2
SCHEMBL31269561 0.77 ALDH1A1 (0.44) ATMALDH1A1HPGDTSHRHCAR2
SCHEMBL1759122 0.77 ALDH1A1 (0.44) ATMALDH1A1HPGDTSHRHCAR2
SCHEMBL31269529 0.77 ALDH1A1 (0.44) ATMALDH1A1HPGDTSHRHCAR2
SCHEMBL8382644 0.76 ALDH1A1 (0.42) ATMALDH1A1HPGDTSHRHCAR2
SCHEMBL8382643 0.76 ALDH1A1 (0.42) ATMALDH1A1HPGDTSHRHCAR2
SCHEMBL8908299 0.76 ALDH1A1 (0.50) ATMALDH1A1HPGDTSHRHCAR2
SCHEMBL3434106 0.75 ALDH1A1 (0.41) ATMALDH1A1HPGDTSHRHCAR2
SCHEMBL28494423 0.75 ALDH1A1 (0.41) ATMALDH1A1HPGDTSHRHCAR2

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
EP-3983402-A1 1-((S)-1-(3-CHLORO-5-FLUORO-2-((4-(1H-PYRAZOL-1-YL)-2-METHYLQUINOLIN-8-YLOXY)METHYL)PHENYL)ETHYL)-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ (BK) B2 RECEPTOR ANTAGONIST FOR TREATING SKIN DISEASES Pharvaris GmbH (CH) 2022-04-20 EP disclosed
WO-2020234479-A1 1-((S)-1-(3-CHLORO-5-FLUORO-2-((4-(1H-PYRAZOL-1-YL)-2-METHYLQUINOLIN-8-YLOXY)METHYL)PHENYL)ETHYL)-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ (BK) B2 RECEPTOR ANTAGONIST FOR TREATING SKIN DISEASES PHARVARIS GMBH (CH) 2020-11-26 WO disclosed