SCHEMBL2599017

SCHEMBL2599017

O=C(O)N1CC2CCOc3c(O)cccc3[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
HSD11B1 P28845 2/20 0.35
PPIA P62937 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1804909 1.00 ACHE (0.40) ACHEHSD11B1PPIAMEN1KMT2A
SCHEMBL1804907 1.00 ACHE (0.40) ACHEHSD11B1PPIAMEN1KMT2A
SCHEMBL1804905 1.00 ACHE (0.40) ACHEHSD11B1PPIAMEN1KMT2A
SCHEMBL1806180 0.86 ADRA2A (0.39) HSD11B1
SCHEMBL1802527 0.86 ADRA2A (0.39) HSD11B1KMT2A
SCHEMBL1806059 0.86 ADRA2A (0.39) HSD11B1
SCHEMBL1802530 0.86 ADRA2A (0.39) HSD11B1KMT2A
SCHEMBL1806058 0.86 ADRA2A (0.39) HSD11B1
SCHEMBL2598922 0.86 ADRA2A (0.39) HSD11B1
SCHEMBL1804015 0.86 ADRA2A (0.39) HSD11B1

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-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed