SCHEMBL14833155

SCHEMBL14833155

O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(C#Cc3ccc(C(F)(F)F)cc3)s2)c1CN(N1CCOCC1)[SH](=O)=O

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.77
CNR2 P34972 19/20 0.58

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
SCHEMBL14833040 0.92 CNR1 (0.76) CNR1CNR2
SCHEMBL14833174 0.91 CNR1 (0.75) CNR1CNR2
SCHEMBL14833181 0.91 CNR1 (0.75) CNR1CNR2
SCHEMBL14833105 0.91 CNR1 (0.74) CNR1CNR2
SCHEMBL14833030 0.91 CNR1 (0.74) CNR1CNR2
SCHEMBL14833036 0.91 CNR1 (0.74) CNR1CNR2
SCHEMBL14833197 0.91 CNR1 (0.74) CNR1CNR2
SCHEMBL14833063 0.90 CNR1 (0.73) CNR1CNR2
SCHEMBL14833229 0.90 CNR1 (0.71) CNR1CNR2
SCHEMBL14833084 0.90 CNR1 (0.71) CNR1CNR2

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
EP-2632919-A2 PYRAZOLE COMPOUNDS National Health Research Institutes (TW) 2013-09-04 EP disclosed
WO-2013048989-A2 PYRAZOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-04-04 WO disclosed