SCHEMBL5733701

SCHEMBL5733701

C=Cc1ccc2c(c1)C(C(N)=O)[C@H](O)C2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
OPRM1 P35372 1/20 0.31

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
SCHEMBL4652473 1.00 HDAC3 (0.34) HDAC3HDAC1HDAC2OPRM1
SCHEMBL5732698 0.87 KDM4E (0.33) OPRM1
SCHEMBL4652630 0.87 KDM4E (0.33) OPRM1
SCHEMBL4651588 0.87 KDM4E (0.33) OPRM1
SCHEMBL2760934 0.78 MEN1 (0.34) OPRM1
SCHEMBL2760935 0.78 MEN1 (0.34) OPRM1
SCHEMBL4652825 0.77 OPRM1 (0.33) OPRM1
SCHEMBL4652845 0.75 NAMPT (0.32) HDAC3OPRM1
SCHEMBL5434554 0.75 NAMPT (0.32) HDAC3OPRM1
SCHEMBL4652467 0.75 NAMPT (0.32) HDAC3OPRM1

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
EP-1644320-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-04-12 EP disclosed
WO-2005009941-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-02-03 WO disclosed