SCHEMBL7829378

SCHEMBL7829378

N#Cc1cccc(NC(=O)N2CCCC(CCN3CCC(Cc4ccc(F)cc4)CC3)C2)c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.75
HTR2A P28223 3/20 0.66

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
SCHEMBL7825964 0.92 CCR3 (0.75) CCR3HTR2A
SCHEMBL5350885 0.90 CCR3 (0.69) CCR3HTR2A
SCHEMBL7829233 0.88 CCR3 (0.73) CCR3HTR2A
SCHEMBL5348263 0.87 CCR3 (0.69) CCR3HTR2A
SCHEMBL7814917 0.87 CCR3 (0.77) CCR3
SCHEMBL7814754 0.86 CCR3 (1.00) CCR3HTR2A
SCHEMBL7829620 0.86 CCR3 (0.75) CCR3
SCHEMBL7821639 0.84 CCR3 (0.65) CCR3HTR2A
Hydrochloric Acid SCHEMBL5364218 0.84 CCR3 (0.76) CCR3HTR2A
SCHEMBL7829377 0.83 CCR3 (0.56) CCR3HTR2A

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-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