SCHEMBL19724366

SCHEMBL19724366

Cn1nc(C(C)(C)NC(=O)C2C3CN(C(=O)OC(C)(C)C)C[C@H]32)c2ccc(F)cc21

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 18/20 0.70
SSTR1 P30872 3/20 0.51
PLK1 P53350 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 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
SCHEMBL16252891 1.00 SSTR4 (0.70) SSTR4SSTR1PLK1HDAC1HDAC2
SCHEMBL19724420 0.93 SSTR4 (0.70) SSTR4SSTR1PLK1HDAC1HDAC2
SCHEMBL16252886 0.93 SSTR4 (0.70) SSTR4SSTR1PLK1HDAC1HDAC2
SCHEMBL16252874 0.87 SSTR4 (0.68) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL19724403 0.87 SSTR4 (0.68) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL17763141 0.83 SSTR4 (0.65) SSTR4SSTR1PLK1SSTR2SSTR3
SCHEMBL22015535 0.83 SSTR4 (0.65) SSTR4SSTR1PLK1SSTR2SSTR3
SCHEMBL19724364 0.82 SSTR4 (1.00) SSTR4SSTR1
SCHEMBL16252668 0.82 SSTR4 (1.00) SSTR4SSTR1
SCHEMBL19724468 0.82 SSTR4 (1.00) SSTR4SSTR1

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-2997021-B1 NEW SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS CENTREXION THERAPEUTICS CORP (US) 2017-12-20 EP disclosed