SCHEMBL7090933

SCHEMBL7090933

NC1=C2CCCC=C2C=C2CCCCC21

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.37
KDM1A O60341 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL708993 0.63 KDM1A (0.31) KDM1A
SCHEMBL7751743 0.62 KDM1A (0.30) KDM1A
SCHEMBL455257 0.62 KDM1A (0.33) KDM1A
SCHEMBL526778 0.60
SCHEMBL15062109 0.58 KDM1A (0.43) TLR4KDM1A
SCHEMBL1234810 0.58 MAPT (0.42) KDM1A
SCHEMBL130772 0.57 TLR4 (0.56) TLR4KDM1A
SCHEMBL13576613 0.57 KDM1A (0.42) TLR4KDM1A
SCHEMBL38654652 0.57 HDAC1 (0.36) KDM1AACHE
SCHEMBL4622930 0.57 HDAC1 (0.36) KDM1AACHE

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-1010694-B1 Spiroimidazoline derivatives and their use as alpha2-adrenergic antagonists and monoamines-reuptake blockers SERVIER LAB (FR) 2003-08-06 EP disclosed
EP-1010694-A2 Spiroimidazoline derivatives and their use as alpha2-adrenergic antagonists and monoamines-reuptake blockers ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed