SCHEMBL10486502

SCHEMBL10486502

CCc1cc2c(c(Cl)c1CC)CCN(C(=O)OC(C)(C)C)[C@@H](C(N)=O)C2c1ccc(O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GHSR Q92847 2/20 0.34
▸ ESR1 P03372 3/20 0.33
▸ VEGFA P15692 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ CACNB4 O00305 1/20 0.32
▸ CACNA1A O00555 1/20 0.32
▸ CACNA1G O43497 1/20 0.32
▸ CACNG3 O60359 1/20 0.32
▸ CACNA1F O60840 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNB3 P54284 1/20 0.32
▸ CACNA2D1 P54289 1/20 0.32
▸ CACNG7 P62955 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ CACNA1D Q01668 1/20 0.32
▸ CACNB1 Q02641 1/20 0.32
▸ CACNG1 Q06432 1/20 0.32
▸ CACNB2 Q08289 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
SCHEMBL10486490 0.69 GHSR (0.44) GHSR
SCHEMBL9157283 0.63 DRD2 (0.46) ESR2ESR1GPR119MEN1KMT2A
SCHEMBL9163267 0.63 DRD2 (0.46) ESR2ESR1GPR119MEN1KMT2A
SCHEMBL9156416 0.63 DRD2 (0.40) ESR2ESR1GPR119LMNADRD2
SCHEMBL9163915 0.63 DRD2 (0.44) ESR2ALDH1A1ESR1GPR119MEN1
SCHEMBL9160117 0.63 DRD2 (0.40) ESR2ESR1GPR119LMNADRD2
SCHEMBL9162378 0.63 DRD2 (0.44) ESR2ALDH1A1ESR1GPR119MEN1
SCHEMBL9162204 0.63 DRD1 (0.55) ESR2ALDH1A1MEN1KMT2ALMNA
SCHEMBL9161077 0.63 DRD1 (0.55) ESR2ALDH1A1MEN1KMT2ALMNA
SCHEMBL11912526 0.63 KIF11 (0.56) MAPT

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
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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