SCHEMBL7814141

SCHEMBL7814141

O=C(Nc1ccccc1)N1CCCC(CN2CCC(Cc3ccccc3)CC2)C1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.77
FAAH O00519 3/20 0.68
CCR2 P41597 3/20 0.62
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KCNH2 Q12809 1/20 0.54
HSD11B1 P28845 1/20 0.53
GRM5 P41594 1/20 0.53
GRM7 Q14831 1/20 0.53
GRM3 Q14832 1/20 0.53

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
SCHEMBL7814197 0.93 CCR3 (0.77) CCR3FAAHCCR2
SCHEMBL5353025 0.88 CCR3 (0.70) CCR3FAAHCCR2
SCHEMBL5351408 0.88 CCR3 (1.00) CCR3
SCHEMBL5358819 0.87 FAAH (0.85) CCR3FAAHKMT2AMEN1SMN1; SMN2
SCHEMBL7825001 0.87 CCR3 (0.76) CCR3FAAH
SCHEMBL7826536 0.87 CCR3 (0.75) CCR3FAAH
SCHEMBL7824997 0.85 CCR3 (0.73) CCR3FAAH
SCHEMBL5358054 0.84 CCR3 (0.66) CCR3FAAHCCR2KCNH2
SCHEMBL7814917 0.83 CCR3 (0.77) CCR3FAAH
SCHEMBL1943895 0.83 CCR2 (0.76) CCR3CCR2KCNH2

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-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO claimed
EP-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO disclosed