SCHEMBL5772590

SCHEMBL5772590

CCCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 1.00
CYP2C9 P11712 1/20 1.00
CHRM1 P11229 6/20 0.91
PMP22 Q01453 3/20 0.89
KDM4E B2RXH2 2/20 0.89
ALDH1A1 P00352 2/20 0.89
NPSR1 Q6W5P4 2/20 0.89
ADRA1A P35348 4/20 0.71
ADRA1D P25100 2/20 0.71
ADRA1B P35368 1/20 0.71
PLD1 Q13393 3/20 0.69
DRD2 P14416 6/20 0.66
KCNH2 Q12809 6/20 0.66
OPRM1 P35372 6/20 0.66
OPRK1 P41145 5/20 0.66
HTR1A P08908 4/20 0.66
HTR2A P28223 4/20 0.66
DRD3 P35462 4/20 0.66
OPRL1 P41146 3/20 0.66
CHRM5 P08912 1/20 0.66

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
SCHEMBL7964885 0.95 CHRM1 (1.00) CYP2D6CYP2C9CHRM1PMP22KDM4E
SCHEMBL7961140 0.95 CHRM1 (1.00) CYP2D6CYP2C9CHRM1PMP22KDM4E
Oxalic Acid SCHEMBL5772154 0.94 KDM4E (1.00) CYP2D6CYP2C9CHRM1PMP22KDM4E
SCHEMBL28539041 0.92 CYP2D6 (0.86) CYP2D6CYP2C9CHRM1PMP22KDM4E
SCHEMBL5984495 0.92 CYP2D6 (0.85) CYP2D6CYP2C9CHRM1PMP22KDM4E
SCHEMBL6404859 0.91 CHRM1 (0.88) CYP2D6CYP2C9CHRM1PMP22KDM4E
Oxalic Acid SCHEMBL5777428 0.90 KDM4E (0.92) CYP2D6CYP2C9CHRM1PMP22KDM4E
Oxalic Acid SCHEMBL5807061 0.90 KDM4E (0.92) CYP2D6CYP2C9CHRM1PMP22KDM4E
SCHEMBL6404540 0.90 PLD1 (0.81) CYP2D6CYP2C9CHRM1PMP22KDM4E
SCHEMBL7963223 0.87 CYP2D6 (0.77) CYP2D6CYP2C9CHRM1PMP22KDM4E

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

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