SCHEMBL2599154

SCHEMBL2599154

O=C1NCC2CN(C(=O)O)CC2c2ccc(-c3c(F)cccc3F)cc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.37
TTR P02766 1/20 0.35
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34
HCRTR1 O43613 7/20 0.33
HCRTR2 O43614 7/20 0.33
FFAR1 O14842 1/20 0.33
PARP1 P09874 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
FAAH O00519 1/20 0.32
ABL1 P00519 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL861829 0.89 HDAC2 (0.40) PARP1
SCHEMBL1806636 0.85 USP30 (0.42) RORC
SCHEMBL1806634 0.85 USP30 (0.42) RORC
SCHEMBL860711 0.82 CDK5 (0.36) PARP1PARP3
SCHEMBL1805360 0.82 RXRA (0.41) JAK2
SCHEMBL1805365 0.82 RXRA (0.41) JAK2
SCHEMBL2599006 0.82 PAX8 (0.41)
SCHEMBL1805364 0.82 RXRA (0.41) JAK2
SCHEMBL1804297 0.82 BRD4 (0.42)
SCHEMBL1804301 0.82 BRD4 (0.42)

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