SCHEMBL2595939

SCHEMBL2595939

Cc1onc(C2CCC(Cl)(c3ccc4c(c3)CNCc3nncn3-4)CC2)c1F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.30

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
SCHEMBL2596215 0.85 AVPR1A (0.40) AVPR1A
Hydrochloric Acid SCHEMBL2596212 0.84 AVPR1A (0.40) AVPR1A
SCHEMBL2567021 0.83 AVPR1A (0.31) AVPR1A
SCHEMBL2596224 0.82
SCHEMBL2588404 0.82 AVPR1A (0.32) AVPR1A
Hydrochloric Acid SCHEMBL2544777 0.82 AVPR1A (0.33) AVPR1A
SCHEMBL2563306 0.81 AVPR1A (0.35) AVPR1A
SCHEMBL2564607 0.81 AVPR1A (0.35) AVPR1A
SCHEMBL2560099 0.81
Hydrochloric Acid SCHEMBL2590527 0.81 AVPR1A (0.31) AVPR1A

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-2569319-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-20 EP disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 WO disclosed