SCHEMBL7054059

SCHEMBL7054059

CC1CCC(c2cccc(NC(=O)c3c[nH]c4ccccc34)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.50
GFER P55789 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ACKR3 P25106 1/20 0.44
CFTR P13569 2/20 0.43
HTR2C P28335 3/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.41
SCN4A P35499 2/20 0.40
SCN3A Q9NY46 2/20 0.40
SCN9A Q15858 1/20 0.40
RAB9A P51151 1/20 0.39
DGAT1 O75907 1/20 0.39
PARP1 P09874 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
SCHEMBL7054060 1.00 NPY1R (0.50) NPY1RGFERMEN1KMT2AACKR3
SCHEMBL7052738 0.91 NHERF1 (0.51) NPY1RGFERCFTRMAPTRAB9A
SCHEMBL7052734 0.91 NHERF1 (0.51) NPY1RGFERCFTRMAPTRAB9A
SCHEMBL7050504 0.87 NPY1R (0.52) NPY1RMEN1KMT2AACKR3MAPT
SCHEMBL7050500 0.87 NPY1R (0.52) NPY1RMEN1KMT2AACKR3MAPT
SCHEMBL7055662 0.85 FLT3 (0.54) NPY1RACKR3HTR1AHTR2A
SCHEMBL7055666 0.85 FLT3 (0.54) NPY1RACKR3HTR1AHTR2A
SCHEMBL7055965 0.85 NPY1R (0.57) NPY1RMEN1KMT2AMAPTNPC1
SCHEMBL7055961 0.85 NPY1R (0.57) NPY1RMEN1KMT2AMAPTNPC1
SCHEMBL7054509 0.84 NPY1R (0.53) NPY1RMEN1KMT2AMAPTNPC1

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