SCHEMBL24914051

SCHEMBL24914051

CN1CCC(Oc2cc(Br)c3c(c2)CCN(C(=O)OC(C)(C)C)C3)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.47
▸ ESR2 Q92731 1/20 0.45
▸ GPR119 Q8TDV5 6/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.42
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ MTHFD1 P11586 1/20 0.38
▸ MTHFD2 P13995 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ GCK P35557 2/20 0.38
▸ ADORA1 P30542 1/20 0.38

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
SCHEMBL30156685 1.00 NR1H2 (0.47) NR1H2ESR2GPR119HRH3PRMT5
SCHEMBL31013849 0.92 GPR119 (0.45) NR1H2ESR2GPR119HRH3PDE4B
SCHEMBL31013875 0.84 ESR2 (0.52) NR1H2ESR2ADORA1
SCHEMBL31013862 0.82 ESR2 (0.62) NR1H2ESR2GPR119HRH3PRMT5
SCHEMBL31014050 0.82 NR1H2 (0.64) NR1H2ESR2GPR119HRH3PRMT5
SCHEMBL31014016 0.81 ESR2 (0.49) NR1H2ESR2ADORA1
SCHEMBL24914052 0.80 HRH3 (0.41) NR1H2ESR2GPR119HRH3PRMT5
SCHEMBL26657625 0.80 F10 (0.41) NR1H2ESR2GPR119HRH3PRMT5
SCHEMBL31013899 0.79 GPR119 (0.56) NR1H2ESR2GPR119HRH3PRMT5
SCHEMBL30156710 0.79 ESR2 (0.46) NR1H2ESR2GPR119ADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 — — CN disclosed
WO-2023002165-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2023-01-26 — — WO disclosed
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