SCHEMBL4755728

SCHEMBL4755728

COC(=O)C=C(C)NC(=O)C1CC(C(F)(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.38

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
SCHEMBL4755724 1.00 SMN1; SMN2 (0.39) SMN1; SMN2TSHR
SCHEMBL4756545 0.88 SMN1; SMN2 (0.35) SMN1; SMN2TSHR
SCHEMBL4756550 0.88 SMN1; SMN2 (0.35) SMN1; SMN2TSHR
SCHEMBL4753772 0.87 SMN1; SMN2 (0.38) SMN1; SMN2TSHR
SCHEMBL4753774 0.87 SMN1; SMN2 (0.38) SMN1; SMN2TSHR
SCHEMBL4755587 0.81 TSHR (0.41) SMN1; SMN2TSHR
SCHEMBL4755585 0.81 TSHR (0.41) SMN1; SMN2TSHR
SCHEMBL4753664 0.79 SMN1; SMN2 (0.39) SMN1; SMN2TSHR
SCHEMBL4753663 0.79 SMN1; SMN2 (0.39) SMN1; SMN2TSHR
SCHEMBL4753739 0.67 ESR1 (0.32)

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
WO-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed
WO-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed