SCHEMBL9378601

SCHEMBL9378601

COc1ccc(CNC2CCCc3nc4ccccc4c(N)c32)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
BCHE P06276 1/20 0.57
CYP3A4 P08684 1/20 0.57
ACHE P22303 1/20 0.57
KDM4E B2RXH2 1/20 0.54
APP P05067 1/20 0.51

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
SCHEMBL9377162 0.84 CYP1A2 (0.61) CYP1A2ACHE
SCHEMBL4501798 0.79 CYP1A2 (0.62) CYP1A2ACHE
SCHEMBL10846678 0.78 CYP1A2 (0.70) CYP1A2BCHECYP3A4ACHE
SCHEMBL9378893 0.77 CYP1A2 (0.60) CYP1A2ACHE
SCHEMBL9378899 0.76 CYP1A2 (0.58) CYP1A2ACHE
SCHEMBL9381492 0.75 CYP1A2 (0.57) CYP1A2ACHE
SCHEMBL9377996 0.70 CYP1A2 (0.63) CYP1A2ACHE
SCHEMBL10845035 0.69 ACHE (0.73) CYP1A2BCHECYP3A4ACHEKDM4E
SCHEMBL4863948 0.69 APP (0.70) CYP1A2BCHECYP3A4ACHEAPP
SCHEMBL9378050 0.69 CYP1A2 (0.52) CYP1A2ACHE

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-0368188-B1 1,2,3,4-Tetrahydro-1,9-acridinediamines, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1994-09-21 EP disclosed
EP-0368188-A1 1,2,3,4-Tetrahydro-1,9-acridinediamines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-05-16 EP disclosed