Sugi Predict

Sugi Predict / Compounds / SCHEMBL4972304

SCHEMBL4972304

SCHEMBL4972304

CCCCOC(=O)N1CCCC([C@@H](OCC(=O)OCC)c2cccc(Cl)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 15/20 0.52
▸ CYP3A4 P08684 4/20 0.47
▸ ADRB3 P13945 1/20 0.43
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GRM5 P41594 1/20 0.39

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
SCHEMBL4073475 1.00 REN (0.52) RENCYP3A4ADRB3LMNAMAPT
SCHEMBL4975236 0.88 REN (0.51) RENCYP3A4ADRB3
SCHEMBL4968733 0.88 REN (0.56) RENCYP3A4
SCHEMBL4968724 0.88 REN (0.56) RENCYP3A4
SCHEMBL971028 0.88 REN (0.51) RENCYP3A4ADRB3LMNAMAPT
SCHEMBL971027 0.88 REN (0.51) RENCYP3A4ADRB3LMNAMAPT
SCHEMBL969066 0.87 REN (0.49) RENCYP3A4ADRB3LMNAMAPT
SCHEMBL3611251 0.87 REN (0.49) RENCYP3A4ADRB3LMNAMAPT
SCHEMBL969063 0.87 REN (0.49) RENCYP3A4ADRB3LMNAMAPT
SCHEMBL9914198 0.87 REN (0.49) RENCYP3A4ADRB3LMNAMAPT

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-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 — — EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 — — WO disclosed