SCHEMBL4684342

SCHEMBL4684342

O=C(CCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1Cc2ccc(CCO)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.54
DRD2 P14416 7/20 0.51
DRD3 P35462 4/20 0.51
HTR1A P08908 6/20 0.51
HTR2C P28335 2/20 0.51
HTR7 P34969 3/20 0.50
DRD5 P21918 2/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
MTOR P42345 1/20 0.49

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
SCHEMBL4689618 0.93 SIGMAR1 (0.53) SIGMAR1DRD2DRD3HTR1AHTR7
SCHEMBL4687765 0.90 SIGMAR1 (0.52) SIGMAR1DRD2DRD3HTR1AHTR7
SCHEMBL4684360 0.89 HTR7 (0.53) SIGMAR1DRD2DRD3HTR7DRD5
SCHEMBL4689638 0.88 HTR7 (0.51) SIGMAR1DRD2DRD3HTR1AHTR7
SCHEMBL4687021 0.88 DRD2 (0.63) SIGMAR1DRD2DRD3HTR1AHTR7
SCHEMBL4688657 0.87 HTR7 (0.55) SIGMAR1DRD2DRD3HTR1AHTR7
SCHEMBL4684376 0.87 DRD2 (0.55) SIGMAR1DRD2DRD3HTR1AHTR7
Hydrochloric Acid SCHEMBL4685542 0.87 DRD2 (0.62) SIGMAR1DRD2DRD3HTR1AHTR7
SCHEMBL14079327 0.86 MAPT (0.54) SIGMAR1DRD2DRD3HTR1AHTR7
SCHEMBL4687913 0.86 CACNA1G (0.54) SIGMAR1DRD2DRD3HTR1AHTR7

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 1 patent. 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