SCHEMBL6184037

SCHEMBL6184037

Cc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1cccc(Cl)c1.O=C(Cc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 19/20 0.73
AVPR2 P30518 2/20 0.43
KCNH2 Q12809 2/20 0.43

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
SCHEMBL5214839 0.89 AVPR1A (0.66) AVPR1A
SCHEMBL5215659 0.85 AVPR1A (1.00) AVPR1A
SCHEMBL5215914 0.79 AVPR1A (1.00) AVPR1A
SCHEMBL5214289 0.78 AVPR1A (0.80) AVPR1AAVPR2KCNH2
SCHEMBL5219249 0.76 AVPR1A (1.00) AVPR1A
SCHEMBL5216708 0.73 AVPR1A (0.64) AVPR1AAVPR2KCNH2
SCHEMBL5845867 0.73 AVPR1A (0.76) AVPR1A
SCHEMBL5212464 0.73 AVPR1A (0.78) AVPR1A
SCHEMBL5211898 0.73 AVPR1A (0.73) AVPR1A
SCHEMBL5212676 0.72 AVPR1A (0.66) AVPR1AAVPR2KCNH2

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-1558598-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA Pfizer Limited (GB) 2005-08-03 EP claimed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 WO claimed