SCHEMBL3525258

SCHEMBL3525258

c1cc2c3c(c1)ccn3[C@@H](C1CCCCC1)CO2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.47
CNR2 P34972 6/20 0.44
LTA4H P09960 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
SCHEMBL18247382 0.74 CNR2 (0.39) CNR1CNR2
SCHEMBL3523176 0.70 CNR1 (0.70) CNR1CNR2
SCHEMBL3524728 0.70 CNR1 (0.44) CNR1CNR2
Hydrochloric Acid SCHEMBL3521099 0.70 CNR1 (0.69) CNR1CNR2
SCHEMBL3572781 0.70 CNR1 (0.69) CNR1CNR2
SCHEMBL3521097 0.70 CNR1 (0.69) CNR1CNR2
SCHEMBL3525599 0.67 CNR1 (0.66) CNR1CNR2
SCHEMBL3524296 0.66 CHRNB4 (0.42) CNR1LTA4H
SCHEMBL4964598 0.66 CHRNB4 (0.42) CNR1LTA4H
SCHEMBL3524292 0.66 CHRNB4 (0.42) CNR1LTA4H

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
US-7772227-B2 Tricyclic 1-[(indol-3-yl)carbonyl]piperazine derivatives as cannabinoid CB1 receptor agonists N.V. ORGANON (NL) 2010-08-10 US disclosed
EP-1696930-B1 TRICYCLIC 1-((3-INDOL-3-YL)CARBONYL)PIPERAZINE DERIVATIVES AS CANNABINOID CB1 RECEPTOR AGONISTS ORGANON NV (NL) 2007-04-11 EP disclosed