SCHEMBL9323906

SCHEMBL9323906

O=C(O)NN1CC=C(c2cccc3c2OCCO3)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.49
KDM4E B2RXH2 1/20 0.39
SLC6A4 P31645 4/20 0.37
MTNR1A P48039 5/20 0.36
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
CHEK2 O96017 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
SCHEMBL9592808 0.75 HTR1A (0.48) HTR1AKDM4ESLC6A4MTNR1ASTIM1
SCHEMBL8544064 0.72 HTR1A (0.51) HTR1ASLC6A4
SCHEMBL9326100 0.71 HTR1A (0.51) HTR1ASLC6A4
SCHEMBL9326213 0.70 HTR1A (0.47) HTR1ASLC6A4
SCHEMBL9444705 0.69 HTR1A (0.64) HTR1ASLC6A4
Hydrochloric Acid SCHEMBL9323890 0.69 HTR1A (0.64) HTR1ASLC6A4
SCHEMBL25403214 0.68 CYP11B1 (0.39) HTR1AKDM4E
SCHEMBL8443740 0.67 HTR1A (0.52) HTR1ASLC6A4
SCHEMBL6964024 0.66 HTR1A (1.00) HTR1A
SCHEMBL6964022 0.66 HTR1A (1.00) HTR1A

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
US-5292761-A Piperidine, tetrahydropyridine and pyrrolidine compounds ADIR ET COMPAGNIE (FR) 1994-03-08 US disclosed
US-5278185-A Piperidine, Tetrahydropyridine and pyrrolidine compounds ADIR ET COMPAGNIE (FR) 1994-01-11 US disclosed
US-5250544-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-10-05 US disclosed
US-5242933-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-09-07 US disclosed
US-5240942-A Hypotensive agents; 5-hydroxytryptamine antagonist ADIR ET COMPAGNIE (FR) 1993-08-31 US disclosed