SCHEMBL9040732

SCHEMBL9040732

O=C1CCCc2nc3ccccc3c(NCC(O)c3ccccc3)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 1/20 0.44
▸ BCHE P06276 8/20 0.44
▸ ACHE P22303 8/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ APP P05067 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41

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
SCHEMBL9874160 0.81 BCHE (0.54) BCHEACHEGABRPGABRDAPP
SCHEMBL8984077 0.80 KMT2A (0.67) KDM4EBCHEACHEMEN1HTT
SCHEMBL9875611 0.79 BCHE (0.53) KDM4EALDH1A1BCHEACHEGABRP
SCHEMBL9875231 0.78 BCHE (0.64) KDM4EBCHEACHEMEN1HTT
SCHEMBL9875385 0.76 KDM4E (0.54) KDM4EALDH1A1BCHEACHEMEN1
SCHEMBL9040282 0.76 — —
SCHEMBL9875750 0.76 KDM4E (0.49) KDM4EALDH1A1BCHEACHEMEN1
SCHEMBL9874867 0.76 PABPC1 (0.71) BCHEACHEKMT2A
SCHEMBL9873820 0.75 KDM4E (0.57) KDM4EBCHEACHEMEN1HTT
SCHEMBL9874955 0.75 KDM4E (0.48) KDM4EBCHEACHEMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112829-A Intermediates for Cognition Activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-12 — — US claimed
EP-0430114-B1 Hexahydro-1H-quino[4,3,2-ef][1,4]benzoxazepines and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-02-07 — — EP disclosed
US-5112829-A Intermediates for Cognition Activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-12 — — US disclosed
EP-0430114-A2 Hexahydro-1H-quino[4,3,2-ef][1,4]benzoxazepines and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-06-05 — — EP disclosed
US-4994452-A Memory disfunction HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-02-19 — — US disclosed
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