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SCHEMBL27720683

SCHEMBL27720683

CC(C)(C)OC(=O)n1c(-c2cc(-c3ccccc3)c(Cl)c3c2C(C(=O)C2NCc4c(Cl)c(-c5ccccc5)cc(-c5cc6cc(CN7CCCCC7)ccc6n5C(=O)OC(C)(C)C)c42)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 19/20 0.38
▸ NR1H3 Q13133 3/20 0.38
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35

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
SCHEMBL27700243 0.94 NR1H2 (0.36) NR1H2NR1H3BRD4CREBBP
SCHEMBL27720924 0.91 NR1H2 (0.35) NR1H2NR1H3BRD4CREBBP
SCHEMBL28768677 0.89 NR1H2 (0.34) NR1H2NR1H3BRD4CREBBP
SCHEMBL27720788 0.89 EED (0.35) NR1H2NR1H3BRD4CREBBP
SCHEMBL27720689 0.87 NR1H2 (0.33) NR1H2NR1H3BRD4CREBBP
SCHEMBL28772263 0.84 ABCB1 (0.34) —
SCHEMBL27700250 0.84 NR1H2 (0.36) NR1H2NR1H3BRD4CREBBP
SCHEMBL3051369 0.84 NR1H2 (0.39) NR1H2NR1H3BRD4CREBBP
SCHEMBL27720693 0.84 NR1H2 (0.35) NR1H2NR1H3BRD4CREBBP
SCHEMBL28943660 0.83 HRH3 (0.38) —

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