SCHEMBL2563306

SCHEMBL2563306

Fc1cnc(C2CCC(Cl)(c3ccc4c(c3)CNCc3nncn3-4)CC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.35

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
SCHEMBL2564607 0.88 AVPR1A (0.35) AVPR1A
Hydrochloric Acid SCHEMBL2567137 0.88 AVPR1A (0.39) AVPR1A
SCHEMBL2561816 0.85 AVPR1A (0.36) AVPR1A
Hydrochloric Acid SCHEMBL2544777 0.84 AVPR1A (0.33) AVPR1A
SCHEMBL2564920 0.82 AVPR1A (0.35) AVPR1A
SCHEMBL2560099 0.82
SCHEMBL2566668 0.82 AVPR1A (0.33) AVPR1A
SCHEMBL2567021 0.82 AVPR1A (0.31) AVPR1A
SCHEMBL2469536 0.82 AVPR1A (0.36) AVPR1A
SCHEMBL2595939 0.81 AVPR1A (0.30) 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-2560975-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2013-02-27 EP disclosed
WO-2011131596-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-27 WO disclosed