SCHEMBL4702149

SCHEMBL4702149

O=C(CCCN1CCCC(COc2ccc3ncccc3c2)C1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
HTR1A P08908 6/20 0.47
HTR2A P28223 6/20 0.47
DRD2 P14416 6/20 0.47
DRD3 P35462 5/20 0.47
HTR2C P28335 4/20 0.47
DRD4 P21917 4/20 0.47
ADRA2C P18825 1/20 0.47
HRH1 P35367 1/20 0.47
GALR3 O60755 1/20 0.47
ATM Q13315 1/20 0.47
HTR7 P34969 3/20 0.47
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL4704279 0.88 KDM2B (0.48) TMEM97SIGMAR1HTR1AHTR2ADRD2
SCHEMBL4222884 0.84 TMEM97 (0.51) TMEM97SIGMAR1HTR1AHTR2ADRD2
SCHEMBL4050942 0.80 GRIN1 (0.51) HTR2ADRD2DRD3DRD4GRIN1
SCHEMBL4758750 0.80 DRD2 (0.48) TMEM97SIGMAR1HTR1AHTR2ADRD2
SCHEMBL4048748 0.79 DRD2 (0.49) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL4046264 0.77 HTR2A (0.48) TMEM97SIGMAR1HTR1AHTR2ADRD2
SCHEMBL4049636 0.77 MEN1 (0.46) TMEM97SIGMAR1HTR1AHTR2ADRD2
SCHEMBL4048984 0.77 ALDH1A1 (0.48) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL4048988 0.77 ALDH1A1 (0.48) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL4224500 0.77 DRD2 (0.48) TMEM97SIGMAR1HTR1AHTR2ADRD2

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-1421070-B1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-11-26 EP claimed