SCHEMBL6618307

SCHEMBL6618307

O=C(CCN1CCCC(COc2ccccc2NCc2ccccc2)C1)Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.44
CHRNB4 P30926 5/20 0.43
CHRNA3 P32297 5/20 0.43
CCR3 P51677 2/20 0.42
CHRNB2 P17787 4/20 0.42
CHRNA4 P43681 4/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL4054869 0.85 DRD2 (0.48) CACNA1BCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6617305 0.82 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL6619348 0.82 CHRNB4 (0.47) CHRNB4CHRNA3CCR3CHRNB2CHRNA4
SCHEMBL6617259 0.81 CHRNB4 (0.42) CHRNB4CHRNA3CCR3CHRNB2CHRNA4
SCHEMBL6647024 0.78 SSTR5 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL6614953 0.78 KDM4E (0.40) CHRNB4CHRNA3CCR3CHRNB2CHRNA4
SCHEMBL6614746 0.78 HRH3 (0.46) CHRNB4CHRNA3CCR3MAOB
SCHEMBL6618399 0.77 MEN1 (0.48) CCR3MAOB
SCHEMBL6659265 0.77 POLB (0.44) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL6614327 0.76 CYP3A4 (0.48) CCR3MAOB

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 2 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 disclosed
WO-2003018566-A1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-06 WO disclosed