SCHEMBL9162117

SCHEMBL9162117

CCNC(=O)c1ccc(C2CN(C(=O)OC(C)(C)C)CCc3c2cc(C(=O)NCC)c(C(=O)NCC)c3Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ TAOK3 Q9H2K8 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SLC9A3 P48764 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ ITGB2 P05107 1/20 0.34

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
SCHEMBL9156416 0.93 DRD2 (0.40) GPR119KDM4EPKMLMNAPIK3CD
SCHEMBL9160117 0.93 DRD2 (0.40) GPR119KDM4EPKMLMNAPIK3CD
SCHEMBL9161002 0.88 YAP1 (0.44) GPR119SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL9163267 0.86 DRD2 (0.46) GPR119KDM4EKMT2AMEN1CYP2C19
SCHEMBL9157283 0.86 DRD2 (0.46) GPR119KDM4EKMT2AMEN1CYP2C19
SCHEMBL9162378 0.86 DRD2 (0.44) GPR119KDM4EKMT2AMEN1CYP2C19
SCHEMBL9163915 0.86 DRD2 (0.44) GPR119KDM4EKMT2AMEN1CYP2C19
SCHEMBL9160083 0.81 YAP1 (0.44) GPR119SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL3470001 0.76 GFER (0.48) SMN1; SMN2KDM4EPKMKMT2AMEN1
SCHEMBL9162351 0.76 GFER (0.48) SMN1; SMN2KDM4EPKMKMT2AMEN1

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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