SCHEMBL17976901

SCHEMBL17976901

O=C(/C=C/c1ccc(OC2CCN(C3CCC3)CC2)nc1)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.49
KCNH2 Q12809 1/20 0.48
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GPR183 P32249 2/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
TRPV1 Q8NER1 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
SCHEMBL15571272 1.00 HRH3 (0.49) HRH3KCNH2MEN1KMT2AGPR183
SCHEMBL17976916 0.91 HRH3 (0.47) HRH3KCNH2GPR183ALDH1A1NPC1
SCHEMBL15571318 0.91 HRH3 (0.47) HRH3KCNH2GPR183ALDH1A1NPC1
SCHEMBL17976879 0.84 HRH3 (0.53) HRH3MEN1KMT2AALDH1A1NPC1
SCHEMBL17976880 0.84 HRH3 (0.53) HRH3MEN1KMT2AALDH1A1NPC1
Hydrochloric Acid SCHEMBL15572697 0.83 HRH3 (0.53) HRH3MEN1KMT2AALDH1A1NPC1
SCHEMBL17976909 0.82 HRH3 (0.46) HRH3KCNH2MEN1KMT2A
SCHEMBL2004014 0.81 HRH3 (0.58) HRH3KCNH2
SCHEMBL15572648 0.78 ALDH1A1 (0.67) KMT2AALDH1A1L3MBTL1MAPTHPGD
SCHEMBL17976873 0.78 ALDH1A1 (0.67) KMT2AALDH1A1L3MBTL1MAPTHPGD

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