SCHEMBL2450579

SCHEMBL2450579

C=CCN(C(=O)O)[C@@]1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1C

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 16/20 0.47
▸ GLUL P15104 1/20 0.47

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
SCHEMBL2450577 1.00 NR3C1 (0.47) NR3C1GLUL
SCHEMBL2447009 0.87 NR3C1 (0.50) NR3C1
SCHEMBL2446994 0.87 NR3C1 (0.50) NR3C1
SCHEMBL1142246 0.76 NR3C1 (0.48) NR3C1GLUL
SCHEMBL2449986 0.75 NR3C1 (0.54) NR3C1GLUL
SCHEMBL2450581 0.74 NR3C1 (0.46) NR3C1GLUL
SCHEMBL2442345 0.74 NR3C1 (0.47) NR3C1
SCHEMBL2444931 0.73 NR3C1 (0.46) NR3C1GLUL
SCHEMBL1142522 0.73 NR3C1 (0.48) NR3C1GLUL
SCHEMBL1142524 0.73 NR3C1 (0.48) NR3C1GLUL

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-1896424-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-09-21 — — EP disclosed
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