SCHEMBL5347387

SCHEMBL5347387

CC(=O)c1cccc(NC(=O)N2CCC[C@H](CN3CCC(Cc4ccc(F)cc4)CC3)[C@H]2Cc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 18/20 0.67
HTR2A P28223 2/20 0.58
CYP2D6 P10635 2/20 0.58
DRD2 P14416 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KCNH2 Q12809 1/20 0.58
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL7820813 0.91 CCR3 (0.56) CCR3HTR2ACYP2D6DRD2SLC6A2
SCHEMBL5348555 0.91 CCR3 (0.56) CCR3HTR2ACYP2D6DRD2SLC6A2
SCHEMBL7829231 0.91 CCR3 (0.56) CCR3
SCHEMBL7825545 0.91 CCR3 (0.56) CCR3
SCHEMBL7821482 0.90 CCR3 (0.73) CCR3HTR2A
SCHEMBL5347815 0.90 CCR3 (0.73) CCR3HTR2A
SCHEMBL7821484 0.90 CCR3 (0.73) CCR3HTR2A
SCHEMBL7822342 0.89 CCR3 (0.54) CCR3
SCHEMBL7822339 0.89 CCR3 (0.54) CCR3
SCHEMBL7824966 0.89 CCR3 (0.54) CCR3

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 6 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
US-7312222-B2 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-25 US disclosed
US-6331545-B1 TREATING ASTHMA, ALLERGIC RHINITIS, ATOPIC DERMATITIS, AND INFLAMMATORY BOWEL DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-18 US disclosed
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