SCHEMBL4424728

SCHEMBL4424728

CCCC1CCCN(CC2CCCCC2NC(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 20/20 0.47
▸ CYP2D6 P10635 2/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ CXCR1 P25024 1/20 0.42
▸ CXCR2 P25025 1/20 0.42
▸ CCR1 P32246 1/20 0.42
▸ CCR2 P41597 1/20 0.42
▸ CCR5 P51681 1/20 0.42

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
SCHEMBL4434067 0.93 CCR3 (0.46) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4433571 0.92 CCR3 (0.45) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4433523 0.92 CCR3 (0.45) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4428305 0.92 CCR3 (0.45) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4429017 0.91 CCR3 (0.44) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4434042 0.84 CCR3 (0.47) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4421298 0.84 CCR3 (0.46) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14369031 0.84 CCR3 (0.43) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14369062 0.81 CCR3 (0.54) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL5662634 0.79 CCR3 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024359-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DECEASE AND/OR SCHIZOPHRENIA AstraZeneca AB (SE) 2009-02-18 — — EP disclosed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 — — WO disclosed
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