SCHEMBL4382905

SCHEMBL4382905

O=C(C=Cc1ccc(F)c(C(F)(F)F)c1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
GPR183 P32249 4/20 0.44
ITGAL P20701 5/20 0.43
ITGB2 P05107 4/20 0.43
ICAM1 P05362 4/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL14190922 1.00 ALDH1A1 (0.46) ALDH1A1LMNATP53GPR183ITGAL
SCHEMBL4383997 0.99 ALDH1A1 (0.47) ALDH1A1LMNATP53GPR183ITGAL
SCHEMBL14190937 0.99 ALDH1A1 (0.47) ALDH1A1LMNATP53GPR183ITGAL
SCHEMBL2832628 0.90 ITGAL (0.45) ALDH1A1LMNATP53GPR183ITGAL
SCHEMBL14218005 0.79 TDP1 (0.60) ALDH1A1GPR183ITGALITGB2ICAM1
SCHEMBL4382910 0.77 GPR183 (0.52) ALDH1A1LMNATP53GPR183ITGAL
SCHEMBL13636500 0.77 GPR183 (0.52) ALDH1A1LMNATP53GPR183ITGAL
SCHEMBL14190914 0.76 LMNA (0.49) ALDH1A1LMNATP53MEN1KMT2A
SCHEMBL4384525 0.76 LMNA (0.49) ALDH1A1LMNATP53MEN1KMT2A
SCHEMBL29259756 0.75 GAA (0.64) ALDH1A1LMNATP53GPR183KDM4E

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-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed