SCHEMBL17294993

SCHEMBL17294993

COc1cccc(CCN2CCCCC2)c1

nearest known ligand 0.97

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.97
SIGMAR1 Q99720 4/20 0.85
HTR1A P08908 2/20 0.64
SLC6A4 P31645 1/20 0.61
LTA4H P09960 1/20 0.61

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
SCHEMBL10669091 0.98 HRH3 (1.00) HRH3SIGMAR1HTR1ASLC6A4LTA4H
Hydrochloric Acid SCHEMBL10352286 0.90 HRH3 (0.78) HRH3SIGMAR1SLC6A4
SCHEMBL22813625 0.89 HRH3 (0.83) HRH3SIGMAR1HTR1ASLC6A4LTA4H
SCHEMBL2089103 0.86 SIGMAR1 (0.82) HRH3SIGMAR1HTR1ASLC6A4
SCHEMBL5709087 0.85 HRH3 (0.71) HRH3SIGMAR1SLC6A4LTA4H
SCHEMBL11379089 0.85 SIGMAR1 (0.80) HRH3SIGMAR1HTR1ASLC6A4
SCHEMBL9387835 0.85 SIGMAR1 (0.85) HRH3SIGMAR1HTR1ASLC6A4
SCHEMBL29447356 0.84 SIGMAR1 (0.77) HRH3SIGMAR1
SCHEMBL1883482 0.84 SIGMAR1 (0.77) HRH3SIGMAR1
SCHEMBL17297948 0.84 SIGMAR1 (0.78) HRH3SIGMAR1HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025104081-A1 TRIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2025-05-22 WO disclosed
EP-3148537-A1 CYCLIC COMPOUNDS HAVING A 1,3 DIAMINO-FUNCTIONALITY FOR USE IN THE TREATMENT OF HIV INFECTION Université Paris Descartes (FR) 2017-04-05 EP disclosed
WO-2015181387-A1 CYCLIC COMPOUNDS HAVING A 1,3 DIAMINO-FUNCTIONALITY FOR USE IN THE TREATMENT OF HIV INFECTION UNIVERSITE PARIS DESCARTES (FR) 2015-12-03 WO disclosed