SCHEMBL4741239

SCHEMBL4741239

FC(F)(F)Oc1ccc(C2CNCCN2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
GRIN2B Q13224 2/20 0.39
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
LIPE Q05469 1/20 0.38
EPHX1 P07099 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A4 P31645 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 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
SCHEMBL8476447 0.79 SLC6A2 (0.34) SLC6A4
SCHEMBL19580559 0.79 HTR2C (0.48) HTR2CSCN10ANISCHGRIN2BKDM1A
SCHEMBL1639545 0.78 MAOA (0.53) HTR2CKDM1AMEN1KMT2A
SCHEMBL5562690 0.78 MAOA (0.53) HTR2CKDM1AMEN1KMT2A
SCHEMBL1638129 0.78 HTR2C (0.51) HTR2CKDM1AL3MBTL1
SCHEMBL2705859 0.77 GRIN2B (0.47) HTR2CNISCHGRIN2BKDM1ARCOR1
Hydrochloric Acid SCHEMBL28782088 0.77 MAOA (0.51) HTR2CKDM1AMEN1KMT2A
Bromide SCHEMBL11252079 0.77 MAOA (0.51) HTR2CKDM1AMEN1KMT2A
SCHEMBL3697306 0.75 PRCP (0.39) HTR2CKDM1AATM
SCHEMBL16644633 0.75 PRCP (0.39) HTR2CKDM1AATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828125-B1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET SOC CIV (FR) 2008-04-09 EP disclosed
EP-1828125-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2007-09-05 EP disclosed
WO-2006058993-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANDS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2006-06-08 WO disclosed