SCHEMBL9160979

SCHEMBL9160979

CC(C)(C)OC(=O)N1CCc2c(cc(O)c(O)c2F)[C@@H](c2ccc(O)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.55
▸ ESR2 Q92731 2/20 0.43
▸ DRD1 P21728 6/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD5 P21918 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ ESR1 P03372 1/20 0.39
▸ PDE4B Q07343 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL9162204 0.88 DRD1 (0.55) DRD2ESR2DRD1DRD4DRD5
SCHEMBL9161077 0.88 DRD1 (0.55) DRD2ESR2DRD1DRD4DRD5
SCHEMBL9163267 0.77 DRD2 (0.46) DRD2ESR2DRD1DRD4DRD5
SCHEMBL9157283 0.77 DRD2 (0.46) DRD2ESR2DRD1DRD4DRD5
SCHEMBL9162086 0.77 DRD1 (0.52) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9162378 0.76 DRD2 (0.44) DRD2ESR2DRD1DRD4DRD5
SCHEMBL9163915 0.76 DRD2 (0.44) DRD2ESR2DRD1DRD4DRD5
SCHEMBL9160117 0.74 DRD2 (0.40) DRD2ESR2DRD1DRD4DRD5
SCHEMBL9156416 0.74 DRD2 (0.40) DRD2ESR2DRD1DRD4DRD5
SCHEMBL9157251 0.72 YAP1 (0.44) DRD2DRD1

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
EP-0380355-B1 Carbamates of 6-chloro-7,8-dihydroxy-1-(4'-Hydroxyphenyl)-2,3,4,5-tetra-hydro-1H-3-benzazepine as prodrugs SMITHKLINE BEECHAM CORP (US) 1995-01-11 — — EP disclosed
EP-0380355-A2 Carbamates of 6-chloro-7,8-dihydroxy-1-(4'-Hydroxyphenyl)-2,3,4,5-tetra-hydro-1H-3-benzazepine as prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-08-01 — — EP disclosed
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