SCHEMBL14392686

SCHEMBL14392686

COC[C@@H]1CCCN(C[C@H]2CCCCC2NC(=O)c2ccc(CN)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 20/20 0.50
▸ CYP2D6 P10635 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49

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
SCHEMBL14394458 1.00 CCR3 (0.50) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14369006 0.92 CCR3 (0.48) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14392359 0.92 CCR3 (0.48) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4431718 0.92 CCR3 (0.48) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14369133 0.92 CCR3 (0.48) CCR3CYP2D6DRD2SLC6A2HTR2A
Hydrochloric Acid SCHEMBL5659731 0.91 CCR3 (0.47) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14368665 0.90 CCR3 (0.51) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL14394453 0.84 CCR3 (0.45) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4553275 0.80 CCR3 (0.46) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4435281 0.80 CCR3 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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