SCHEMBL5779681

SCHEMBL5779681

[CH]1NCCCC1c1cncc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.36
PRKCZ Q05513 3/20 0.35
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL11810624 0.75 CYP11B2 (0.35) IRAK4PRKCZCYP11B1CYP11B2CNR1
SCHEMBL28442398 0.73 TDP1 (0.41) PRKCZCYP11B1CYP11B2CNR1CNR2
SCHEMBL13728399 0.72 CYP11B2 (0.42) IRAK4PRKCZCYP11B1CYP11B2CNR1
SCHEMBL7963921 0.72 HTR2C (0.49) IRAK4HTR1A
SCHEMBL30735834 0.72 HTR2C (0.49) IRAK4HTR1A
SCHEMBL11665783 0.71 TDP1 (0.44) PRKCZCYP11B1CYP11B2CNR1CNR2
Cyclohexane SCHEMBL22288135 0.71 TDP1 (0.44) PRKCZCYP11B1CYP11B2CNR1CNR2
SCHEMBL12676840 0.68 PRKCZ (0.35) IRAK4PRKCZCYP11B1CYP11B2CNR1
SCHEMBL4155227 0.67 SLC18A3 (0.42) ADRA1A
SCHEMBL31596812 0.66 MEN1 (0.40) IRAK4PRKCZCYP11B1CYP11B2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633735-A1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-03-15 EP disclosed
WO-2004099176-A1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-11-18 WO disclosed