SCHEMBL6648474

SCHEMBL6648474

O=C(CCN1CCCC(COc2nc3ccccc3s2)C1)Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
LTA4H P09960 12/20 0.42
EPHX2 P34913 1/20 0.42
KCNH2 Q12809 4/20 0.40
CCR3 P51677 2/20 0.40
CCR1 P32246 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
CYP2D6 P10635 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL4046264 0.85 HTR2A (0.48) KCNH2CYP2D6
SCHEMBL6659265 0.81 POLB (0.44) LTA4HEPHX2CYP2D6HRH1
SCHEMBL6617305 0.80 CHRNB4 (0.47)
SCHEMBL6619348 0.78 CHRNB4 (0.47) CCR3CYP2D6
SCHEMBL6647024 0.78 SSTR5 (0.47) KCNH2
SCHEMBL6617259 0.77 CHRNB4 (0.42) CCR3CYP2D6
SCHEMBL6618399 0.76 MEN1 (0.48) KCNH2CCR3
SCHEMBL6614953 0.76 KDM4E (0.40) CCR3
SCHEMBL6614327 0.75 CYP3A4 (0.48) CCR3CYP2D6
SCHEMBL6618307 0.75 CACNA1B (0.44) LTA4HEPHX2CCR3

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