SCHEMBL27700258

SCHEMBL27700258

CCc1ccc(-c2cc3cc(CNCCO)ccc3n2C(=O)OC(C)(C)C)c2c1CNC2C(=O)C1NCc2c(CC)ccc(-c3cc4cc(CNCCO)ccc4n3C(=O)OC(C)(C)C)c21

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.37
NR1H3 Q13133 3/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL27700290 0.92 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL28772314 0.85 NR1H2 (0.36) NR1H2NR1H3BRD4CREBBP
SCHEMBL3043642 0.83 NR1H2 (0.38) NR1H2NR1H3BRD4CREBBP
SCHEMBL27700216 0.81 NR1H2 (0.34) NR1H2NR1H3BRD4CREBBP
SCHEMBL27700183 0.80 NR1H2 (0.39) NR1H2NR1H3BRD4CREBBP
SCHEMBL27720691 0.79 NR1H2 (0.39) NR1H2NR1H3BRD4CREBBP
SCHEMBL28768669 0.77 NR1H2 (0.35) NR1H2NR1H3BRD4CREBBP
SCHEMBL27720923 0.77 NR1H2 (0.37) NR1H2NR1H3BRD4CREBBP
SCHEMBL27700179 0.77 NR1H2 (0.37) NR1H2NR1H3BRD4CREBBP
SCHEMBL3039961 0.77 NR1H2 (0.39) NR1H2NR1H3BRD4CREBBP

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
CN-101163675-A Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO KK (JP) 2008-04-16 CN disclosed