SCHEMBL8218068

SCHEMBL8218068

C[C@H]1[C@@H](CCn2cccn2)C[C@H]1CN1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 1/20 0.30
HPGDS O60760 1/20 0.30

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
SCHEMBL8221078 0.87 L3MBTL1 (0.34) L3MBTL1HTTLMNAKMT2A
SCHEMBL3995090 0.78 CYP2D6 (0.33) BRD4CREBBPL3MBTL1HTTLMNA
SCHEMBL3318456 0.78 CYP2D6 (0.33) BRD4CREBBPL3MBTL1HTTLMNA
SCHEMBL8221261 0.77 TBXAS1 (0.35) KMT2A
SCHEMBL1456338 0.75 HTT (0.41) BRD4CREBBPHTTLMNA
SCHEMBL31283708 0.71 KDM1A (0.44) L3MBTL1HTTLMNA
SCHEMBL31682404 0.69 HTT (0.41) HTTLMNAKMT2A
SCHEMBL8220817 0.69 DRD2 (0.52)
SCHEMBL8216729 0.66 EGLN3 (0.36) KMT2A
SCHEMBL18723549 0.66 EGLN3 (0.36) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008015266-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-02-07 WO disclosed