SCHEMBL17976907

SCHEMBL17976907

CC(C)CN1CCC(Oc2ccc(/C=C/C(=O)N3CCOCC3)cc2Br)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TRPV1 Q8NER1 1/20 0.49
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
APP P05067 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.44
MAOB P27338 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PDE4D Q08499 2/20 0.43
POLB P06746 1/20 0.42
GPR183 P32249 1/20 0.42
KCNH2 Q12809 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42

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
SCHEMBL15570528 1.00 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TRPV1HPGD
SCHEMBL17976885 0.90 TRPV1 (0.58) RAB9ANPC1SMN1; SMN2TRPV1HPGD
SCHEMBL16970309 0.90 TRPV1 (0.58) RAB9ANPC1SMN1; SMN2TRPV1HPGD
SCHEMBL17976912 0.88 TRPV1 (0.52) RAB9ANPC1SMN1; SMN2TRPV1HPGD
SCHEMBL15570578 0.88 TRPV1 (0.52) RAB9ANPC1SMN1; SMN2TRPV1HPGD
SCHEMBL17976876 0.87 CCR2 (0.49) RAB9ANPC1SMN1; SMN2TRPV1HPGD
SCHEMBL16970118 0.87 CCR2 (0.49) RAB9ANPC1SMN1; SMN2TRPV1HPGD
SCHEMBL15572463 0.85 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TRPV1HPGD
SCHEMBL17976883 0.85 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TRPV1HPGD
SCHEMBL17976902 0.82 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TRPV1HPGD

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-2888243-B1 ACRYLAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2016-08-17 EP claimed