SCHEMBL2588294

SCHEMBL2588294

ClC1(c2ccc3c(c2)CNCc2nncn2-3)CCC(c2noc3cccnc23)CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.31

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
Hydrochloric Acid SCHEMBL2584880 0.99 AVPR1A (0.31) AVPR1A
SCHEMBL2588404 0.88 AVPR1A (0.32) AVPR1A
Hydrochloric Acid SCHEMBL2590527 0.87 AVPR1A (0.31) AVPR1A
SCHEMBL2559684 0.85 AVPR1A (0.35) AVPR1A
SCHEMBL2564920 0.84 AVPR1A (0.35) AVPR1A
SCHEMBL2564607 0.84 AVPR1A (0.35) AVPR1A
SCHEMBL2579842 0.84 AVPR1A (0.31) AVPR1A
SCHEMBL2566668 0.82 AVPR1A (0.33) AVPR1A
SCHEMBL2567189 0.82 AVPR1A (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571879-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP claimed
WO-2011134877-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-03 WO claimed
EP-2571879-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
WO-2011134877-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-03 WO disclosed