SCHEMBL5337404

SCHEMBL5337404

O=C(Nc1cccnc1)N1CCNC(CC2=COCO2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.44
GRIN2B Q13224 3/20 0.42
CCR3 P51677 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
PDGFRB P09619 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2C P28335 2/20 0.38
CXCR4 P61073 1/20 0.38
EPHX2 P34913 1/20 0.37
HTR2A P28223 1/20 0.36

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
SCHEMBL3733737 0.76 CA1 (0.38)
SCHEMBL3935992 0.71 GRIN2B (0.47) GRIN2BCYP2D6CXCR4EPHX2
SCHEMBL30791537 0.71 POLB (0.66) FAAHGRIN2BTRPV1PDGFRBCYP2D6
SCHEMBL1758868 0.71 POLB (0.66) FAAHGRIN2BTRPV1PDGFRBCYP2D6
Hydrochloric Acid SCHEMBL2194067 0.70 POLB (0.68) FAAHGRIN2BTRPV1PDGFRBCYP2D6
SCHEMBL5334736 0.70 MAPK1 (0.39) FAAH
SCHEMBL15529643 0.67 TRPV1 (0.60) FAAHGRIN2BTRPV1PDGFRBHTR2C
SCHEMBL780721 0.66 GPR119 (0.48) GRIN2BCYP2D6
SCHEMBL3933150 0.66 GRIN2B (0.46) GRIN2BEPHX2
SCHEMBL1960679 0.66 TRPV1 (0.58) FAAHGRIN2BTRPV1HTR2C

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-1836179-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP disclosed
WO-2006074025-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed