SCHEMBL3962571

SCHEMBL3962571

NC(c1ccsc1)C1CCCC2CCCCN21

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
CHIT1 Q13231 1/20 0.32
CHIA Q9BZP6 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL4828306 0.80 SLC6A2 (0.38)
SCHEMBL3953362 0.80 OPRM1 (0.43)
SCHEMBL3959432 0.77 OPRM1 (0.40) CHIT1CHIA
SCHEMBL2984883 0.75 OPRM1 (0.44)
SCHEMBL2989048 0.75 OPRM1 (0.44)
SCHEMBL2986994 0.73 ALDH1A1 (0.46) HRH3
SCHEMBL4295611 0.73 HRH3 (0.48) LMNAHRH3
SCHEMBL2555848 0.72 IDO1 (0.36)
SCHEMBL14873238 0.72 IDO1 (0.36)
SCHEMBL14862307 0.72 IDO1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2077837-A2 DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-07-15 EP claimed
WO-2008037881-A2 DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-04-03 WO claimed
EP-2077837-A2 DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-07-15 EP disclosed
WO-2008037881-A2 DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-04-03 WO disclosed