SCHEMBL2460780

SCHEMBL2460780

CN1CCCCC(N(CC(C)(C)OC(=O)N(C2CCCCN(C)C2=O)C(C)(C)C)C(=O)O)C1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.32

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
SCHEMBL1190098 0.79 NR1I2 (0.36) NR1I2
SCHEMBL15855776 0.75 NR1I2 (0.39) NR1I2
SCHEMBL21066907 0.65 EPHX1 (0.40)
SCHEMBL21066905 0.65 EPHX1 (0.40)
SCHEMBL23005327 0.63 CHRM2 (0.41)
SCHEMBL23005328 0.63 CHRM2 (0.41)
SCHEMBL27749154 0.63 NR1I2 (0.35) NR1I2
SCHEMBL27880937 0.63 NR1I2 (0.35) NR1I2
SCHEMBL7248554 0.61 F10 (0.42)
SCHEMBL1700031 0.61 CCR5 (0.33)

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
US-8026233-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-27 US disclosed