SCHEMBL14409587

SCHEMBL14409587

O=C(/C=C/c1ccsc1)N1CCC[C@H]1CN1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.68
KCNH2 Q12809 2/20 0.64
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
OPRK1 P41145 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
SCHEMBL5259817 1.00 HRH3 (0.68) HRH3KCNH2KMT2ANPC1OPRK1
SCHEMBL14409433 0.81 HRH3 (0.78) HRH3KCNH2KMT2A
SCHEMBL5221265 0.81 HRH3 (1.00) HRH3KCNH2KMT2ANPC1OPRK1
SCHEMBL14409309 0.81 HRH3 (1.00) HRH3KCNH2KMT2ANPC1OPRK1
SCHEMBL5220654 0.81 HRH3 (0.78) HRH3KCNH2KMT2A
SCHEMBL14409420 0.81 HRH3 (0.78) HRH3KCNH2KMT2A
SCHEMBL5216166 0.81 HRH3 (0.78) HRH3KCNH2KMT2A
SCHEMBL5220708 0.81 HRH3 (0.78) HRH3KCNH2KMT2A
SCHEMBL14409351 0.81 HRH3 (0.78) HRH3KCNH2KMT2ANPC1OPRK1
SCHEMBL5218120 0.80 HRH3 (0.64) HRH3KCNH2NPC1

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-1474419-B1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK AS (DK) 2007-09-05 EP disclosed