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SCHEMBL27700243

SCHEMBL27700243

CC(C)(C)OC(=O)n1c(-c2cc(-c3ccc(CO)cc3)c(Cl)c3c2C(C(=O)C2NCc4c(Cl)c(-c5ccc(CO)cc5)cc(-c5cc6cc(CN7CCCCC7)ccc6n5C(=O)OC(C)(C)C)c42)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 17/20 0.36
▸ NR1H3 Q13133 3/20 0.36
▸ TBK1 Q9UHD2 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ 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
SCHEMBL27720683 0.94 NR1H2 (0.38) NR1H2NR1H3BRD4CREBBP
SCHEMBL27720924 0.91 NR1H2 (0.35) NR1H2NR1H3TBK1BRD4CREBBP
SCHEMBL28768677 0.89 NR1H2 (0.34) NR1H2NR1H3TBK1BRD4CREBBP
SCHEMBL27720788 0.88 EED (0.35) NR1H2NR1H3TBK1GPR119BRD4
SCHEMBL27720689 0.87 NR1H2 (0.33) NR1H2NR1H3TBK1GPR119BRD4
SCHEMBL28772263 0.84 ABCB1 (0.34) —
SCHEMBL27700250 0.84 NR1H2 (0.36) NR1H2NR1H3TBK1BRD4CREBBP
SCHEMBL5050607 0.84 NR1H2 (0.37) NR1H2NR1H3TBK1
SCHEMBL27720693 0.84 NR1H2 (0.35) NR1H2NR1H3TBK1BRD4CREBBP
SCHEMBL28943660 0.83 HRH3 (0.38) TBK1

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