SCHEMBL9161002

SCHEMBL9161002

CCNC(=O)c1cc2c(c(Cl)c1C(=O)NCC)CCN(C(=O)OC(C)(C)C)CC2c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 3/20 0.44
▸ GHSR Q92847 5/20 0.41
▸ PRMT5 O14744 5/20 0.39
▸ LMNA P02545 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL9160083 0.93 YAP1 (0.44) YAP1GHSRPRMT5LMNARAB9A
SCHEMBL9156416 0.89 DRD2 (0.40) LMNAGPR119
SCHEMBL9160117 0.89 DRD2 (0.40) LMNAGPR119
SCHEMBL9162117 0.88 GPR119 (0.44) LMNASMN1; SMN2GPR119MEN1KMT2A
SCHEMBL9162086 0.84 DRD1 (0.52) YAP1PRMT5LMNAGAAGPR119
SCHEMBL9157251 0.83 YAP1 (0.44) YAP1GHSRPRMT5ALOX15
SCHEMBL9163915 0.83 DRD2 (0.44) GPR119MEN1ALDH1A1ALOX15KMT2A
SCHEMBL9162378 0.83 DRD2 (0.44) GPR119MEN1ALDH1A1ALOX15KMT2A
SCHEMBL9157283 0.83 DRD2 (0.46) GPR119MEN1ALOX15KMT2A
SCHEMBL9163267 0.83 DRD2 (0.46) GPR119MEN1ALOX15KMT2A

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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