SCHEMBL4400779

SCHEMBL4400779

CCN1CCC(N2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 8/20 0.66
▸ DRD2 P14416 5/20 0.61
▸ OPRM1 P35372 1/20 0.59
▸ PLD2 O14939 5/20 0.57
▸ PLD1 Q13393 5/20 0.57
▸ HTR1A P08908 2/20 0.54
▸ HTR2A P28223 2/20 0.54
▸ DRD3 P35462 2/20 0.54
▸ ADRA2A P08913 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ DRD4 P21917 1/20 0.52
▸ HTR1D P28221 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ HTR7 P34969 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ HTR5A P47898 1/20 0.52
▸ KCNH2 Q12809 1/20 0.51

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
SCHEMBL4399511 0.91 CHRM1 (0.66) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL4403836 0.87 DRD2 (0.72) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL3002989 0.82 CHRM1 (0.66) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL4444715 0.82 CHRM1 (0.69) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL8891261 0.81 CHRM1 (0.67) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL2997304 0.80 CHRM1 (0.61) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL9974821 0.79 OPRM1 (0.61) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL4565235 0.78 DRD2 (0.52) CHRM1DRD2OPRM1CYP2D6CYP2C9
SCHEMBL22298693 0.78 OPRM1 (0.67) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL14593699 0.78 OPRM1 (0.60) CHRM1DRD2OPRM1PLD2PLD1

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
EP-2035412-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA Astra Zeneca AB (SE) 2009-03-18 — — EP claimed
WO-2007142585-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-12-13 — — WO claimed
EP-2035412-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA Astra Zeneca AB (SE) 2009-03-18 — — EP disclosed
WO-2007142585-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-12-13 — — WO disclosed
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