Sugi Predict

Sugi Predict / Compounds / SCHEMBL5052107

SCHEMBL5052107

SCHEMBL5052107

CC(C)(C)[AsH]Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 20/20 0.77
▸ CYP3A4 P08684 1/20 0.67

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
SCHEMBL4957042 0.90 BDKRB1 (0.83) BDKRB1CYP3A4
SCHEMBL4960821 0.87 BDKRB1 (0.99) BDKRB1
SCHEMBL4958240 0.87 BDKRB1 (0.89) BDKRB1
SCHEMBL4957008 0.87 BDKRB1 (1.00) BDKRB1
SCHEMBL4959652 0.86 BDKRB1 (0.83) BDKRB1CYP3A4
SCHEMBL4959052 0.85 BDKRB1 (0.76) BDKRB1CYP3A4
SCHEMBL4513071 0.83 BDKRB1 (0.78) BDKRB1CYP3A4
SCHEMBL4956908 0.82 BDKRB1 (0.88) BDKRB1CYP3A4
SCHEMBL4959111 0.82 BDKRB1 (0.88) BDKRB1CYP3A4
SCHEMBL4957817 0.82 BDKRB1 (0.77) BDKRB1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 — — EP disclosed