SCHEMBL9156416

SCHEMBL9156416

CCNC(=O)c1cc2c(c(Cl)c1C(=O)NCC)CCN(C(=O)OC(C)(C)C)CC2c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ DRD1 P21728 4/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.37
▸ ESR1 P03372 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ IL1B P01584 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ NAMPT P43490 1/20 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
SCHEMBL9160117 1.00 DRD2 (0.40) DRD2ESR2DRD1DRD4DRD5
SCHEMBL9163915 0.93 DRD2 (0.44) DRD2ESR2DRD1DRD4DRD5
SCHEMBL9162117 0.93 GPR119 (0.44) GPR119PIK3CDKDM4EPKMLMNA
SCHEMBL9162378 0.93 DRD2 (0.44) DRD2ESR2DRD1DRD4DRD5
SCHEMBL9157283 0.93 DRD2 (0.46) DRD2ESR2DRD1DRD4DRD5
SCHEMBL9163267 0.93 DRD2 (0.46) DRD2ESR2DRD1DRD4DRD5
SCHEMBL9161002 0.89 YAP1 (0.44) GPR119LMNA
SCHEMBL9160083 0.82 YAP1 (0.44) GPR119LMNA
SCHEMBL9162204 0.81 DRD1 (0.55) DRD2ESR2DRD1DRD4DRD5
SCHEMBL9161077 0.81 DRD1 (0.55) DRD2ESR2DRD1DRD4DRD5

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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