SCHEMBL7814754

SCHEMBL7814754

COc1cccc(NC(=O)N2CCCC(CCN3CCC(Cc4ccc(F)cc4)CC3)C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 19/20 1.00
HTR2A P28223 1/20 0.65
ALDH1A1 P00352 1/20 0.65

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
SCHEMBL7822771 0.93 CCR3 (0.87) CCR3HTR2A
SCHEMBL7825111 0.88 CCR3 (1.00) CCR3HTR2AALDH1A1
SCHEMBL7814917 0.88 CCR3 (0.77) CCR3
SCHEMBL7829620 0.86 CCR3 (0.75) CCR3
SCHEMBL7829336 0.86 CCR3 (0.76) CCR3HTR2A
SCHEMBL7820510 0.86 CCR3 (0.84) CCR3ALDH1A1
SCHEMBL7829378 0.86 CCR3 (0.75) CCR3HTR2A
SCHEMBL5351408 0.85 CCR3 (1.00) CCR3HTR2A
SCHEMBL7815115 0.84 CCR3 (0.84) CCR3HTR2A
SCHEMBL7814752 0.83 CCR3 (0.73) CCR3HTR2AALDH1A1

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