SCHEMBL13867601

SCHEMBL13867601

CN[C@@H]1CCCC[C@H]1CN1CC(=O)N[C@@H](Cc2ccc(F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.43
CYP2D6 P10635 2/20 0.40
DRD2 P14416 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
CCR1 P32246 1/20 0.40
CCR2 P41597 1/20 0.40
CCR5 P51681 1/20 0.40

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
SCHEMBL13867616 0.89 CCR3 (0.38) CCR3
SCHEMBL3889004 0.84 CCR3 (0.37) CCR3
SCHEMBL13867614 0.84 CCR3 (0.37) CCR3
SCHEMBL3889008 0.84 CCR3 (0.37) CCR3
SCHEMBL3879488 0.80 CCR3 (0.48) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL7119177 0.80 CCR3 (0.48) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL3884479 0.80 CCR3 (0.69) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL3881530 0.80 CCR3 (0.69) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL3878201 0.79 CCR3 (0.70) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL13867671 0.79 HDAC6 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 US disclosed