SCHEMBL16546366

SCHEMBL16546366

COCCCOc1cc(CN(C(=O)[C@@]2(C(C)(C)C)CN(C(=O)O)CCO2)C2CC2)nc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ THRB P10828 2/20 0.33
▸ P2RY12 Q9H244 2/20 0.33
▸ FDFT1 P37268 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL16546319 0.81 REN (0.51) RENMEN1KMT2A
Tert-Butyl Formate SCHEMBL27795778 0.81 REN (0.38) RENL3MBTL1P2RY12FDFT1
SCHEMBL2830341 0.79 REN (0.53) REN
SCHEMBL2809114 0.79 REN (0.34) RENL3MBTL1
SCHEMBL2807067 0.78 REN (0.37) REN
SCHEMBL13132117 0.76 REN (0.49) REN
SCHEMBL2809721 0.76 BCHE (0.36) REN
SCHEMBL2813602 0.72 REN (0.41) REN
SCHEMBL2805717 0.72 REN (0.47) REN
SCHEMBL2863011 0.71 REN (0.37) 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
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 — — US disclosed
Send feedback