SCHEMBL27757309

SCHEMBL27757309

CCCCC1CCCN(CC2CCCCC2NC(=O)c2ccc(Br)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 19/20 0.52
▸ CYP2D6 P10635 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41

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
SCHEMBL14369066 1.00 CCR3 (0.52) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14369062 0.95 CCR3 (0.54) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14368913 0.89 CCR3 (0.46) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14392666 0.89 CCR3 (0.46) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL27778260 0.88 CCR3 (0.43) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14369068 0.86 CCR3 (0.46) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4552147 0.86 CCR3 (0.46) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14368992 0.86 CCR3 (0.46) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14368883 0.85 CCR3 (0.45) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL27757350 0.84 CCR3 (0.42) CCR3CYP2D6DRD2SLC6A2HTR2A

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
CN-101484442-A Compounds that are agonists of muscarinic receptors and tha may be effective in treating pain, alzheimer's disease and/or schizophrenia ASTRAZENECA AB (SE) 2009-07-15 — — CN claimed
CN-101484442-A Compounds that are agonists of muscarinic receptors and tha may be effective in treating pain, alzheimer's disease and/or schizophrenia ASTRAZENECA AB (SE) 2009-07-15 — — CN disclosed
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