SCHEMBL5685757

SCHEMBL5685757

CCNC1(C(=O)O)CN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.75
CNR2 P34972 14/20 0.75
KCNH2 Q12809 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
SCHEMBL5233761 0.92 CNR1 (0.85) CNR1CNR2KCNH2
SCHEMBL1315332 0.92 CNR1 (0.86) CNR1CNR2KCNH2
Otenabant SCHEMBL1622757 0.86 CNR1 (1.00) CNR1CNR2KCNH2
SCHEMBL5236729 0.85 CNR1 (0.71) CNR1CNR2KCNH2
Otenabant SCHEMBL3932007 0.85 CNR1 (0.98) CNR1CNR2KCNH2
SCHEMBL5240651 0.85 CNR1 (0.84) CNR1CNR2KCNH2
SCHEMBL8012474 0.83 CNR1 (0.85) CNR1CNR2KCNH2
SCHEMBL5240298 0.82 CNR1 (0.69) CNR1CNR2KCNH2
SCHEMBL5238726 0.82 CNR1 (0.64) CNR1CNR2KCNH2
SCHEMBL5238605 0.81 CNR1 (0.79) CNR1CNR2KCNH2

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-1624895-A2 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF NICOTINE ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-02-15 EP claimed
WO-2004098580-A2 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF NICOTINE ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2004-11-18 WO claimed