SCHEMBL17976902

SCHEMBL17976902

CC(C)CN1CCC(Oc2ccc(/C=C/C(=O)N3CCOCC3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
NPC1 O15118 7/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
GPR183 P32249 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
APP P05067 1/20 0.42
KCNH2 Q12809 1/20 0.41
MAOB P27338 1/20 0.41
MAPK1 P28482 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL15571936 1.00 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL16970388 0.87 RAB9A (0.47) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL17976903 0.87 RAB9A (0.47) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL15572463 0.86 RAB9A (0.58) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL17976883 0.86 RAB9A (0.58) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL16970294 0.84 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL16970297 0.84 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL15571318 0.83 HRH3 (0.47) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL17976916 0.83 HRH3 (0.47) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL15570528 0.82 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPGDALDH1A1

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