SCHEMBL7963464

SCHEMBL7963464

CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 1.00
MAPT P10636 8/20 1.00
MEN1 O00255 6/20 1.00
KMT2A Q03164 6/20 1.00
KDM4E B2RXH2 5/20 1.00
LMNA P02545 4/20 1.00
ALDH1A1 P00352 3/20 1.00
NPC1 O15118 2/20 1.00
RAB9A P51151 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
HPGD P15428 1/20 1.00
GAA P10253 2/20 0.76
HTT P42858 1/20 0.76
REV1 Q9UBZ9 1/20 0.72
NPSR1 Q6W5P4 1/20 0.65
MAPK1 P28482 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MCHR2 Q969V1 1/20 0.63
FAAH O00519 1/20 0.61
USP2 O75604 1/20 0.59

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
SCHEMBL7963513 0.91 MAPT (0.83) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL7977321 0.84 NPY5R (1.00) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL7973739 0.84 REV1 (0.84) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL7963462 0.83 NPY5R (1.00) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL4727570 0.83 NPY5R (1.00) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL7977372 0.82 REV1 (0.81) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL7722815 0.79 NPSR1 (1.00) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL7979360 0.79 REV1 (0.69) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL7977012 0.78 REV1 (0.68) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL14199692 0.78 MAPT (0.82) NPY5RMAPTMEN1KMT2AKDM4E

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
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO claimed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed