SCHEMBL6423319

SCHEMBL6423319

O=C(O)N1CCC(c2nnc3n2-c2ccc(Cl)cc2COC3)CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.64
KCNH2 Q12809 6/20 0.51
AVPR2 P30518 4/20 0.51

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
SCHEMBL5107826 0.86 AVPR1A (0.57) AVPR1AKCNH2AVPR2
SCHEMBL20382772 0.83 AVPR1A (0.66) AVPR1AKCNH2AVPR2
SCHEMBL19189883 0.82 AVPR1A (0.65) AVPR1AKCNH2AVPR2
SCHEMBL5094961 0.81 AVPR1A (0.64) AVPR1AKCNH2AVPR2
SCHEMBL5102063 0.80 AVPR1A (0.80) AVPR1AKCNH2AVPR2
SCHEMBL5098038 0.80 AVPR1A (0.69) AVPR1AKCNH2AVPR2
SCHEMBL5094751 0.78 AVPR1A (1.00) AVPR1AKCNH2AVPR2
SCHEMBL14801989 0.78 AVPR1A (0.60) AVPR1AKCNH2AVPR2
SCHEMBL14801823 0.78 AVPR1A (0.60) AVPR1AKCNH2AVPR2
SCHEMBL14802058 0.78 AVPR1A (0.62) AVPR1AKCNH2AVPR2

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-1597260-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2005-11-23 EP disclosed
WO-2004074291-A1 TRIAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2004-09-02 WO disclosed