SCHEMBL2597945

SCHEMBL2597945

Cc1noc(C)c1-c1ccc2c(c1)C(=O)NC[C@@H]1CNCC21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.47
BRD2 P25440 7/20 0.43
BRD3 Q15059 6/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CREBBP Q92793 1/20 0.41
ERN1 O75460 1/20 0.40

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
SCHEMBL1803409 1.00 BRD4 (0.47) BRD4BRD2BRD3SLC6A2SLC6A4
SCHEMBL1803413 1.00 BRD4 (0.47) BRD4BRD2BRD3SLC6A2SLC6A4
SCHEMBL1803411 1.00 BRD4 (0.47) BRD4BRD2BRD3SLC6A2SLC6A4
SCHEMBL1804300 0.81 BRD4 (0.42) BRD4BRD2BRD3CREBBPERN1
SCHEMBL1804297 0.81 BRD4 (0.42) BRD4BRD2BRD3CREBBPERN1
SCHEMBL1804301 0.81 BRD4 (0.42) BRD4BRD2BRD3CREBBPERN1
SCHEMBL861059 0.79 HTR2C (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL2598187 0.79 HTR2C (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL861058 0.79 HTR2C (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL2598186 0.79 HTR2C (0.37) SLC6A2SLC6A4SLC6A3

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 4 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 claimed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO claimed
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