SCHEMBL4660944

SCHEMBL4660944

C[C@@]1(N2CCCC2)CCCN1C(=O)c1ccc(OCc2cscn2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
CPS1 P31327 5/20 0.36
GPR119 Q8TDV5 2/20 0.36
GRM5 P41594 3/20 0.35
ALOX5 P09917 2/20 0.35
ALOX5AP P20292 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAOB P27338 3/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
MAOA P21397 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL3578478 0.73 MET (0.45) MET
SCHEMBL3578481 0.73 MET (0.45) MET
SCHEMBL3583451 0.73 MAOB (0.44) METALOX5ALOX5APMAOBMAOA
SCHEMBL3590769 0.73 MAOB (0.46) METALOX5ALOX5APMAOBMAOA
SCHEMBL12993581 0.72 CPS1 (0.40) METCPS1ALOX5
SCHEMBL4662385 0.72 CPS1 (0.40) METCPS1ALOX5
SCHEMBL3586474 0.72 CPS1 (0.40) METCPS1ALOX5
Lithium Ion SCHEMBL3590770 0.72 MAOB (0.42) METTDP1ALOX5ALOX5APMAPK14
SCHEMBL24302655 0.65 ALDH1A1 (0.40) ALOX5ALOX5APMAPK14MAOBMMP13
SCHEMBL3586481 0.63 MET (0.42) MET

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
EP-1805169-B1 HISTAMINE H3 RECEPTOR INHIBITORS, THEIR PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2008-12-24 EP claimed