SCHEMBL2598837

SCHEMBL2598837

Cc1noc(C)c1-c1ccc2c(c1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.47
BRD4 O60885 13/20 0.40
USP30 Q70CQ3 1/20 0.39
BRD2 P25440 6/20 0.38
BRD3 Q15059 6/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
BTK Q06187 3/20 0.37

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
SCHEMBL1803415 1.00 GPR119 (0.47) GPR119BRD4USP30BRD2BRD3
SCHEMBL1803418 1.00 GPR119 (0.47) GPR119BRD4USP30BRD2BRD3
SCHEMBL1804301 0.88 BRD4 (0.42) BRD4BRD2BRD3
SCHEMBL1804297 0.88 BRD4 (0.42) BRD4BRD2BRD3
SCHEMBL1804300 0.88 BRD4 (0.42) BRD4BRD2BRD3
SCHEMBL1806634 0.85 USP30 (0.42) GPR119USP30PIM1PIM2BTK
SCHEMBL1806636 0.85 USP30 (0.42) GPR119USP30PIM1PIM2BTK
SCHEMBL1805475 0.81 HDAC2 (0.51) USP30BTK
SCHEMBL1805473 0.81 HDAC2 (0.51) USP30BTK
SCHEMBL1808022 0.80 USP30 (0.41) GPR119USP30PIM1PIM2BTK

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