SCHEMBL2599006

SCHEMBL2599006

N#Cc1cccc(-c2ccc3c(c2)C(=O)NCC2CN(C(=O)O)CC32)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.41
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CHEK1 O14757 1/20 0.39
SLC6A7 Q99884 1/20 0.38
USP30 Q70CQ3 3/20 0.38
KDR P35968 1/20 0.37
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
GRIN2B Q13224 2/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
FFAR2 O15552 1/20 0.36
PGR P06401 4/20 0.36
BRD4 O60885 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL1803914 0.86 USP30 (0.42) PAX8USP30BRD4
SCHEMBL1803915 0.86 USP30 (0.42) PAX8USP30BRD4
SCHEMBL860538 0.85 HRH3 (0.47) PAX8CHEK1KDM1AMAOAMAOB
SCHEMBL860539 0.85 HRH3 (0.47) PAX8CHEK1KDM1AMAOAMAOB
SCHEMBL2599154 0.82 RORC (0.37)
SCHEMBL861829 0.82 HDAC2 (0.40) PAX8
SCHEMBL1805364 0.82 RXRA (0.41) BRD4
SCHEMBL1805360 0.82 RXRA (0.41) BRD4
SCHEMBL1805365 0.82 RXRA (0.41) BRD4
SCHEMBL861492 0.81 ACMSD (0.40)

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