SCHEMBL5330784

SCHEMBL5330784

Cc1cccc(CN(C(=O)C2C(c3ccc(OCCOc4c(Cl)cc(F)cc4Cl)cc3)C[C@@H]3CNCC23)C2CC2)c1C

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.64
CYP3A4 P08684 11/20 0.64

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
SCHEMBL5314314 1.00 REN (0.64) RENCYP3A4
SCHEMBL5329499 1.00 REN (0.64) RENCYP3A4
SCHEMBL5313278 0.94 REN (0.72) RENCYP3A4
SCHEMBL5335170 0.94 REN (0.72) RENCYP3A4
SCHEMBL5329807 0.94 REN (0.72) RENCYP3A4
SCHEMBL5331903 0.94 REN (0.64) RENCYP3A4
SCHEMBL5330602 0.94 REN (0.64) RENCYP3A4
SCHEMBL5312453 0.90 REN (0.57) RENCYP3A4
SCHEMBL5335220 0.90 REN (0.57) RENCYP3A4
SCHEMBL5309346 0.81 REN (0.88) RENCYP3A4

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
WO-2007049224-A1 NOVEL HEXAHYDRO- OR OCTAHYDRO-CYCLOPENTA[C]PYRROLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-05-03 WO claimed
WO-2007049224-A1 NOVEL HEXAHYDRO- OR OCTAHYDRO-CYCLOPENTA[C]PYRROLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-05-03 WO disclosed