SCHEMBL6619348

SCHEMBL6619348

CC(=O)c1ccccc1OCC1CCCN(CCC(=O)Cc2ccc(F)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.47
CHRNA3 P32297 5/20 0.47
CHRNB2 P17787 4/20 0.47
CHRNA4 P43681 4/20 0.47
MAPT P10636 1/20 0.45
CCR3 P51677 3/20 0.42
CYP2D6 P10635 2/20 0.42
HTR2A P28223 1/20 0.42
KDM2B Q8NHM5 1/20 0.41
ABCB1 P08183 3/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6617259 0.88 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4CCR3
SCHEMBL6617305 0.85 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1
SCHEMBL4051310 0.83 ALDH1A1 (0.51) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL6618307 0.82 CACNA1B (0.44) CHRNB4CHRNA3CHRNB2CHRNA4CCR3
SCHEMBL6618399 0.81 MEN1 (0.48) MAPTCCR3ALDH1A1POLB
SCHEMBL6647024 0.81 SSTR5 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL6659265 0.81 POLB (0.44) CHRNB4CHRNA3CHRNB2CHRNA4CYP2D6
SCHEMBL6614953 0.81 KDM4E (0.40) CHRNB4CHRNA3CHRNB2CHRNA4CCR3
SCHEMBL6614327 0.79 CYP3A4 (0.48) CCR3CYP2D6ALDH1A1
SCHEMBL6614746 0.79 HRH3 (0.46) CHRNB4CHRNA3CCR3CYP2D6HTR2A

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-1421070-A1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-05-26 EP claimed
WO-2003018566-A1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-06 WO claimed
EP-1421070-A1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003018566-A1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-06 WO disclosed