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SCHEMBL27720704

SCHEMBL27720704

CN(C)CCN(C)Cc1ccc2c(c1)cc(-c1ccc(Cl)c3c1C(C(=O)C1NCc4c(Cl)ccc(-c5cc6cc(CN(C)CCN(C)C)ccc6n5C(=O)OC(C)(C)C)c41)NC3)n2C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 19/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ NR1H3 Q13133 4/20 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
SCHEMBL27700235 0.84 BRD4 (0.33) NR1H2BRD4CREBBPNR1H3
SCHEMBL3050433 0.83 NR1H2 (0.35) NR1H2BRD4CREBBPNR1H3
SCHEMBL27700323 0.83 VEGFA (0.37) NR1H2BRD4CREBBP
SCHEMBL27720725 0.81 HRH3 (0.35) NR1H2BRD4CREBBPNR1H3
SCHEMBL27700267 0.81 NR1H2 (0.36) NR1H2BRD4CREBBPNR1H3
SCHEMBL27700183 0.81 NR1H2 (0.39) NR1H2BRD4CREBBPNR1H3
SCHEMBL28768669 0.81 NR1H2 (0.35) NR1H2BRD4CREBBPNR1H3
SCHEMBL27700324 0.81 NR1H2 (0.34) NR1H2BRD4CREBBPNR1H3
SCHEMBL27700216 0.80 NR1H2 (0.34) NR1H2BRD4CREBBPNR1H3
SCHEMBL27720711 0.80 KDM4E (0.35) NR1H2BRD4CREBBPNR1H3

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