SCHEMBL7051872

SCHEMBL7051872

CC1CCC(c2cccc(NC(=O)c3cc4ccccc4cn3)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.54
DRD3 P35462 7/20 0.45
HTR2A P28223 6/20 0.45
HTR1A P08908 5/20 0.45
CHRNA7 P36544 1/20 0.45
KCNH2 Q12809 1/20 0.43
CBLB Q13191 7/20 0.42
HTR2C P28335 5/20 0.42
DRD2 P14416 2/20 0.42
EGFR P00533 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7051873 1.00 NPY1R (0.54) NPY1RDRD3HTR2AHTR1ACHRNA7
SCHEMBL7051385 0.88 NPY1R (0.55) NPY1REGFRMAPT
SCHEMBL7051383 0.88 NPY1R (0.55) NPY1REGFRMAPT
SCHEMBL7058673 0.87 NPY1R (0.51) NPY1RHTR1ACBLBMAPT
SCHEMBL7058676 0.87 NPY1R (0.51) NPY1RHTR1ACBLBMAPT
SCHEMBL7057389 0.86 MAPT (0.50) NPY1RDRD3HTR2AHTR1AHTR2C
SCHEMBL7055493 0.86 NPY1R (0.52) NPY1RDRD3HTR2AHTR1ADRD2
SCHEMBL7057391 0.86 MAPT (0.50) NPY1RDRD3HTR2AHTR1AHTR2C
SCHEMBL7055492 0.86 NPY1R (0.52) NPY1RDRD3HTR2AHTR1ADRD2
SCHEMBL7055133 0.85 NPY1R (0.55) NPY1RDRD3HTR2AHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316617-B1 FOR TREATING PHYSIOLOGICAL DISORDERS ASSOCIATED WITH AN EXCESS OF NEUROPEPTIDE Y, SUCH AS FEEDING DISORDERS AND CERTAIN CARDIOVASCULAR DISEASES, MEDICAL DIAGNOSIS NEUROGEN CORPORATION 2001-11-13 US claimed
EP-0918761-B1 CERTAIN AMIDO- AND AMINO-SUBSTITUTED BENZYLAMINE DERIVATIVES; A NEW CLASS OF NEUROPEPTITE Y1 SPECIFIC LIGANDS NEUROGEN CORP (US) 2003-05-02 EP disclosed
US-6316617-B1 FOR TREATING PHYSIOLOGICAL DISORDERS ASSOCIATED WITH AN EXCESS OF NEUROPEPTIDE Y, SUCH AS FEEDING DISORDERS AND CERTAIN CARDIOVASCULAR DISEASES, MEDICAL DIAGNOSIS NEUROGEN CORPORATION 2001-11-13 US disclosed
US-6133265-A Certain amido- and amino- substituted benzylamine derivatives; a new class of neuropeptide Y1 specific ligands NEUROGEN CORPORATION (US) 2000-10-17 US disclosed