SCHEMBL851893

SCHEMBL851893

O=C1NCC2CNCC2c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.59
HTR2A P28223 10/20 0.59
HTR2B P41595 10/20 0.59
PARP3 Q9Y6F1 1/20 0.51
PARP1 P09874 4/20 0.44
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
PDPK1 O15530 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL14889471 1.00 HTR2C (0.59) HTR2CHTR2AHTR2BPARP3PARP1
SCHEMBL860175 1.00 HTR2C (0.59) HTR2CHTR2AHTR2BPARP3PARP1
SCHEMBL862455 1.00 HTR2C (0.59) HTR2CHTR2AHTR2BPARP3PARP1
SCHEMBL2599038 1.00 HTR2C (0.59) HTR2CHTR2AHTR2BPARP3PARP1
SCHEMBL852284 1.00 HTR2C (0.59) HTR2CHTR2AHTR2BPARP3PARP1
SCHEMBL852283 1.00 HTR2C (0.59) HTR2CHTR2AHTR2BPARP3PARP1
SCHEMBL2021580 0.86 PARP3 (0.48) HTR2CHTR2AHTR2BPARP3PARP1
SCHEMBL2021581 0.86 PARP3 (0.48) HTR2CHTR2AHTR2BPARP3PARP1
SCHEMBL2021584 0.86 PARP3 (0.48) HTR2CHTR2AHTR2BPARP3PARP1
SCHEMBL2598912 0.81 CHRNB2 (0.41) HTR2CHTR2AHTR2BPARP3

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 7 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-2641907-B1 Preparation of modulators of 5-HT receptors ABBVIE INC (US) 2015-01-28 EP disclosed
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
EP-2432783-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-03-28 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO disclosed