SCHEMBL7827684

SCHEMBL7827684

O=C(Nc1ccccc1)N1CCCCC1CCN1CCC(Cc2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 13/20 0.64
ALDH1A1 P00352 1/20 0.55
FAAH O00519 1/20 0.51

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
SCHEMBL7814938 0.95 CCR3 (0.62) CCR3ALDH1A1
SCHEMBL7829373 0.90 CCR3 (0.77) CCR3ALDH1A1FAAH
SCHEMBL7815115 0.88 CCR3 (0.84) CCR3
SCHEMBL7821639 0.87 CCR3 (0.65) CCR3
SCHEMBL7821497 0.85 CCR3 (0.57) CCR3ALDH1A1
SCHEMBL7824203 0.85 CCR3 (0.75) CCR3ALDH1A1
SCHEMBL7813828 0.84 CCR3 (0.64) CCR3ALDH1A1
SCHEMBL7825484 0.82 CCR3 (0.50) CCR3
SCHEMBL7820927 0.82 CCR3 (0.70) CCR3FAAH
SCHEMBL7814917 0.82 CCR3 (0.77) CCR3FAAH

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