SCHEMBL9454150

SCHEMBL9454150

Cc1ccc(COc2cccc(CN(C)C/C=C/C#CC(C)(C)C)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 20/20 0.61
LMNA P02545 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL9454160 1.00 SQLE (0.61) SQLELMNAADRA2ACYP2D6SLC6A2
SCHEMBL9454638 0.92 SQLE (0.60) SQLELMNAADRA2ACYP2D6SLC6A2
SCHEMBL9454628 0.92 SQLE (0.60) SQLELMNAADRA2ACYP2D6SLC6A2
Hydrochloric Acid SCHEMBL9454686 0.92 SQLE (0.60) SQLELMNAADRA2ACYP2D6SLC6A2
Hydrochloric Acid SCHEMBL9454619 0.92 SQLE (0.60) SQLELMNAADRA2ACYP2D6SLC6A2
Hydrochloric Acid SCHEMBL9454627 0.92 SQLE (0.60) SQLELMNAADRA2ACYP2D6SLC6A2
SCHEMBL9454643 0.91 SQLE (0.61) SQLE
SCHEMBL9454635 0.91 SQLE (0.61) SQLE
SCHEMBL9454397 0.91 SQLE (0.61) SQLE
SCHEMBL9454835 0.91 SQLE (0.61) SQLE

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
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0318860-B1 SUBSTITUTED ALKYLAMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 EP disclosed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 EP disclosed