SCHEMBL5773820

SCHEMBL5773820

COCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.75
DRD2 P14416 3/20 0.75
KCNH2 Q12809 3/20 0.75
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
CHRM5 P08912 2/20 0.67
CHRM2 P08172 1/20 0.67
CHRM4 P08173 1/20 0.67
CHRM3 P20309 1/20 0.67
PLD1 Q13393 3/20 0.66
OPRM1 P35372 6/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
PMP22 Q01453 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
HTR1A P08908 1/20 0.65
HTR2A P28223 1/20 0.65
DRD3 P35462 1/20 0.65
OPRL1 P41146 3/20 0.65
OPRK1 P41145 2/20 0.65

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
SCHEMBL2982735 0.93 CHRM1 (0.71) CHRM1DRD2KCNH2CYP2D6CYP2C9
SCHEMBL6404540 0.88 PLD1 (0.81) CHRM1DRD2KCNH2CYP2D6CYP2C9
SCHEMBL7586871 0.88 CYP2D6 (0.68) CHRM1DRD2KCNH2CYP2D6CYP2C9
SCHEMBL2993173 0.86 CYP2D6 (0.73) CHRM1DRD2KCNH2CYP2D6CYP2C9
SCHEMBL28539041 0.86 CYP2D6 (0.86) CHRM1DRD2KCNH2CYP2D6CYP2C9
SCHEMBL5984495 0.86 CYP2D6 (0.85) CHRM1DRD2KCNH2CYP2D6CYP2C9
Oxiperomide SCHEMBL123291 0.86 CHRM1 (1.00) CHRM1DRD2KCNH2CYP2D6CYP2C9
SCHEMBL6404859 0.85 CHRM1 (0.88) CHRM1DRD2KCNH2CYP2D6CYP2C9
SCHEMBL5772590 0.84 CYP2D6 (1.00) CHRM1DRD2KCNH2CYP2D6CYP2C9
SCHEMBL3671916 0.84 CHRM1 (0.72) CHRM1DRD2KCNH2CYP2D6CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180649-B1 NERVOUS SYSTEM DISORDERS; ALZHEIMER'S, HUNTINGTON, PARKINSON DISEASE NEROSEARCH A/S (DK) 2001-01-30 US claimed
EP-0898568-B1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH AS (DK) 2006-10-04 EP disclosed
US-6180649-B1 NERVOUS SYSTEM DISORDERS; ALZHEIMER'S, HUNTINGTON, PARKINSON DISEASE NEROSEARCH A/S (DK) 2001-01-30 US disclosed
EP-0898568-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1999-03-03 EP disclosed
WO-1997040035-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1997-10-30 WO disclosed