SCHEMBL4426204

SCHEMBL4426204

CCCCC1CCCN(CC2CCCCC2NC(=O)c2ccc(-n3ccnc3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 13/20 0.43
▸ HTT P42858 1/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ TAOK1 Q7L7X3 1/20 0.39
▸ TAOK3 Q9H2K8 1/20 0.39

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
SCHEMBL14368994 1.00 CCR3 (0.43) CCR3HTTHTR2AHTR2CHTR2B
SCHEMBL14369049 0.95 CCR3 (0.44) CCR3HTTHTR2AHTR2CHTR2B
SCHEMBL4565887 0.89 CYP2D6 (0.40) CCR3HTR2ACYP2D6DRD2SLC6A2
SCHEMBL4565886 0.89 CYP2D6 (0.40) CCR3HTR2ACYP2D6DRD2SLC6A2
SCHEMBL14368915 0.89 CYP2D6 (0.40) CCR3HTR2ACYP2D6DRD2SLC6A2
SCHEMBL4426694 0.88 HTT (0.43) CCR3HTTHTR2AHTR2CHTR2B
SCHEMBL14368998 0.88 HTT (0.43) CCR3HTTHTR2AHTR2CHTR2B
SCHEMBL14369059 0.88 CCR3 (0.44) CCR3HTTHTR2AHTR2CHTR2B
SCHEMBL4566657 0.88 CCR3 (0.44) CCR3HTTHTR2AHTR2CHTR2B
SCHEMBL4553058 0.87 CYP2D6 (0.40) CCR3HTR2ACYP2D6DRD2SLC6A2

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 4 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
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
Send feedback