SCHEMBL9157251

SCHEMBL9157251

CC(C)(C)OC(=O)N1CCc2c(cc(O)c(OCc3ccccc3)c2Cl)C(c2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 3/20 0.44
▸ DRD1 P21728 5/20 0.42
▸ DRD2 P14416 3/20 0.42
▸ PRMT5 O14744 5/20 0.41
▸ GHSR Q92847 5/20 0.40
▸ MTOR P42345 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39

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
SCHEMBL9162086 0.93 DRD1 (0.52) YAP1DRD1DRD2PRMT5MTOR
SCHEMBL10600866 0.90 PTGDR2 (0.44) DRD1DRD2MTORCYP1A2CYP3A4
SCHEMBL9158709 0.88 YAP1 (0.44) YAP1PRMT5GHSRS1PR5
SCHEMBL9160083 0.87 YAP1 (0.44) YAP1PRMT5GHSRALOX15
SCHEMBL10606169 0.84 PTGDR2 (0.40) DRD1DRD2MTORCYP1A2CYP3A4
SCHEMBL9165947 0.83 ESR2 (0.39) YAP1DRD1DRD2PRMT5
SCHEMBL9161002 0.83 YAP1 (0.44) YAP1PRMT5GHSRALOX15
SCHEMBL9162204 0.80 DRD1 (0.55) DRD1DRD2MTORCYP1A2CYP3A4
SCHEMBL9161077 0.80 DRD1 (0.55) DRD1DRD2MTORCYP1A2CYP3A4
SCHEMBL10606164 0.77 PTGDR2 (0.41) S1PR5

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 3 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
US-4861771-A Carbamates of 6-chloro-7,8-dihydroxy-1-(4'-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine as prodrugs SMITHKLINE BECKMAN CORPORATION (US) 1989-08-29 — — US disclosed
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