SCHEMBL11171087

SCHEMBL11171087

CC(=O)Oc1cc2c(c(Sc3ccc(F)cc3)c1OC(C)=O)CCN(C)CC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD1 P21728 2/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ F3 P13726 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
Fumaric Acid SCHEMBL11169441 0.84 SMN1; SMN2 (0.41) TDP1L3MBTL1KMT2AMEN1DRD2
Fumaric Acid SCHEMBL11169435 0.84 SMN1; SMN2 (0.41) TDP1L3MBTL1KMT2AMEN1DRD2
SCHEMBL11171000 0.83 DRD1 (0.38) TDP1L3MBTL1LMNAKMT2AMEN1
SCHEMBL11160907 0.75 DRD2 (0.34) TDP1L3MBTL1DRD2DRD1RAB9A
SCHEMBL11162257 0.74 PTPN2 (0.38) DRD2DRD1POLB
SCHEMBL11169440 0.69 KDM4E (0.32) TDP1L3MBTL1DRD2DRD1SMN1; SMN2
Fumaric Acid SCHEMBL11169280 0.69 MEN1 (0.43) TDP1LMNAKMT2AMEN1DRD2
Fumaric Acid SCHEMBL11169294 0.69 MEN1 (0.43) TDP1LMNAKMT2AMEN1DRD2
SCHEMBL11160967 0.69 DRD1 (0.47) TDP1LMNADRD2DRD1POLB
SCHEMBL11155684 0.67 DRD2 (0.41) KMT2AMEN1DRD2DRD1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0080012-A1 6-Chloro-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its acid addition salts and its use as an intermediate SMITHKLINE BECKMAN CORPORATION (US) 1983-06-01 — — EP disclosed
EP-0007070-B1 2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS HAVING DOPAMINE RECEPTOR BLOCKING ACTIVITY SMITHKLINE BECKMAN CORPORATION (US) 1983-01-19 — — EP disclosed
US-4265890-A ANTIPSYCHOTIC, ANTIEMETICS SMITHKLINE CORPORATION (US) 1981-05-05 — — US disclosed
EP-0007070-A1 2,3,4,5-Tetrahydro-1H-3-Benzazepines, process for their production and pharmaceutical compositions having dopamine receptor blocking activity SMITHKLINE BECKMAN CORPORATION (US) 1980-01-23 — — EP disclosed
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