SCHEMBL28041417

SCHEMBL28041417

COCCCOc1cc(C(C)N(C(=O)C2CN(C(=O)OC(C)(C)C)CCO2)C2CC2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.56

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
SCHEMBL12525835 1.00 REN (0.56) REN
SCHEMBL12525491 1.00 REN (0.56) REN
SCHEMBL16471580 0.94 REN (0.64) REN
SCHEMBL16471534 0.92 REN (0.65) REN
SCHEMBL12526666 0.92 REN (0.65) REN
SCHEMBL16471523 0.92 REN (0.47) REN
SCHEMBL16471533 0.92 REN (0.56) REN
SCHEMBL19526575 0.91 REN (0.66) REN
SCHEMBL16471578 0.91 REN (0.66) REN
SCHEMBL12525834 0.91 REN (0.66) REN

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
CN-103562191-B Nitrogen-containing saturated heterocyclic compound SHANGHAI PHARMACEUTICALS HOLDING CO.,LTD. (CN) 2016-03-30 — — CN disclosed
Send feedback