SCHEMBL8437745

SCHEMBL8437745

c1ccc(CCCCCCNCCCc2ccoc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.71

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
SCHEMBL8439993 0.89 SIGMAR1 (0.70) SIGMAR1
SCHEMBL5673318 0.86 SIGMAR1 (0.50) SIGMAR1
SCHEMBL8092723 0.84 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8084446 0.84 SIGMAR1 (1.00) SIGMAR1
SCHEMBL29636359 0.82 HTR2A (0.48) SIGMAR1
SCHEMBL9819830 0.82 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9819849 0.82 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9819797 0.82 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8092310 0.82 SIGMAR1 (0.95) SIGMAR1
SCHEMBL9819742 0.82 SIGMAR1 (1.00) SIGMAR1

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
US-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed
CN-1160403-A Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-24 CN disclosed
EP-0785939-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-30 EP disclosed
WO-1996011201-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO disclosed