SCHEMBL4756550

SCHEMBL4756550

COC(=O)C=C(C)NC(=O)C1CCCC(C(F)(F)F)C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.34
MITF O75030 1/20 0.30

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
SCHEMBL4756545 1.00 SMN1; SMN2 (0.35) SMN1; SMN2TSHRMITF
SCHEMBL4755728 0.88 SMN1; SMN2 (0.39) SMN1; SMN2TSHR
SCHEMBL4755724 0.88 SMN1; SMN2 (0.39) SMN1; SMN2TSHR
SCHEMBL4753772 0.83 SMN1; SMN2 (0.38) SMN1; SMN2TSHR
SCHEMBL4753774 0.83 SMN1; SMN2 (0.38) SMN1; SMN2TSHR
SCHEMBL15443019 0.74 SMN1; SMN2 (0.40) SMN1; SMN2MITF
SCHEMBL4755585 0.72 TSHR (0.41) SMN1; SMN2TSHR
SCHEMBL4755587 0.72 TSHR (0.41) SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL27884321 0.71 SMN1; SMN2 (0.38) SMN1; SMN2MITF
SCHEMBL4753664 0.71 SMN1; SMN2 (0.39) SMN1; SMN2TSHR

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