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SCHEMBL27720679

SCHEMBL27720679

CC(C)(C)OC(=O)n1c(-c2cc(F)c(Cl)c3c2C(C(=O)C2NCc4c(Cl)c(F)cc(-c5cc6cc(CN7CCN(CCO)CC7)ccc6n5C(=O)OC(C)(C)C)c42)NC3)cc2cc(CN3CCN(CCO)CC3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 13/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ IDO2 Q6ZQW0 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ NR1H3 Q13133 4/20 0.32
▸ TBK1 Q9UHD2 2/20 0.32
▸ TRPV3 Q8NET8 1/20 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
SCHEMBL27700250 0.93 NR1H2 (0.36) NR1H2BRD4CREBBPPKMIDO1
SCHEMBL27720693 0.92 NR1H2 (0.35) NR1H2BRD4CREBBPPKMIDO1
SCHEMBL27700267 0.89 NR1H2 (0.36) NR1H2BRD4CREBBPPKMPTGS2
SCHEMBL27720742 0.89 NR1H2 (0.33) NR1H2BRD4CREBBPPKMNR1H3
SCHEMBL27720923 0.87 NR1H2 (0.37) NR1H2BRD4CREBBPPKMIDO1
SCHEMBL27700179 0.87 NR1H2 (0.37) NR1H2BRD4CREBBPPKMIDO1
SCHEMBL28772314 0.86 NR1H2 (0.36) NR1H2BRD4CREBBPPKMNR1H3
SCHEMBL27720924 0.85 NR1H2 (0.35) NR1H2BRD4CREBBPNR1H3TBK1
SCHEMBL3150702 0.84 NR1H2 (0.36) NR1H2BRD4CREBBPPKMIDO1
SCHEMBL27720822 0.84 NR1H2 (0.34) NR1H2PKMIDO1TDO2IDO2

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