SCHEMBL7626892

SCHEMBL7626892

[CH2]CCCCCOCC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 2/20 0.39
CES1 P23141 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
SCHEMBL7628113 0.98 GBA2 (0.37) GBA2CES1
SCHEMBL7633695 0.90 GBA2 (0.34) GBA2
SCHEMBL25939791 0.84 GBA2 (0.42) GBA2CES1
SCHEMBL4489246 0.79
SCHEMBL8778576 0.79 HRH3 (0.39)
SCHEMBL1244600 0.79 GBA2 (0.38) GBA2CES1
SCHEMBL4491774 0.78 CES1 (0.55) GBA2CES1
SCHEMBL4491457 0.78 CES1 (0.55) GBA2CES1
SCHEMBL534064 0.78 CES1 (0.55) GBA2CES1
SCHEMBL4506308 0.78 CES1 (0.55) GBA2CES1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023189817-A1 ONIUM SALT, ONIUM SALT COMPOSITION, LIQUID COMPOSITION CONTAINING ONIUM SALT AND POLYSACCHARIDE AND PRODUCTION METHOD THEREOF, AND METHOD FOR RECOVERING POLYSACCHARIDE 広栄化学株式会社 2023-10-05 WO disclosed
US-6448247-B1 TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) SANKYO COMPANY, LIMITED (JP) 2002-09-10 US disclosed
US-6159967-A Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use SANKYO COMPANY, LIMITED (JP) 2000-12-12 US disclosed
CN-1157286-A N,N-dimethyl-1-t-butoxycarbonyl-4-phenylpiperidine-4-carboxamide SANKYO CO (JP) 1997-08-20 CN disclosed
EP-0776893-A1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO COMPANY LIMITED (JP) 1997-06-04 EP disclosed