SCHEMBL2446994

SCHEMBL2446994

CC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 13/20 0.50
▸ PGR P06401 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL2447009 1.00 NR3C1 (0.50) NR3C1PGRALDH1A1MAPT
SCHEMBL2450577 0.87 NR3C1 (0.47) NR3C1
SCHEMBL2450579 0.87 NR3C1 (0.47) NR3C1
SCHEMBL1142450 0.81 NR3C1 (0.51) NR3C1PGR
SCHEMBL1142453 0.81 NR3C1 (0.51) NR3C1PGR
SCHEMBL1141814 0.79 NR3C1 (0.49) NR3C1PGR
SCHEMBL1141818 0.79 NR3C1 (0.49) NR3C1PGR
SCHEMBL2442345 0.78 NR3C1 (0.47) NR3C1PGR
SCHEMBL1142522 0.78 NR3C1 (0.48) NR3C1PGR
SCHEMBL1142524 0.78 NR3C1 (0.48) NR3C1PGR

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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