SCHEMBL7057014

SCHEMBL7057014

C[C@H]1CC[C@](c2cccc(NC(=O)C(=O)Cc3ccsc3)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 4/20 0.51
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MCL1 Q07820 1/20 0.39
NAMPT P43490 1/20 0.38
MAPT P10636 4/20 0.37
HTR1A P08908 3/20 0.37
DRD2 P14416 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
USP2 O75604 2/20 0.37
POLB P06746 2/20 0.37
HCRTR1 O43613 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL7057017 1.00 NPY1R (0.51) NPY1RNPC1RAB9AMCL1NAMPT
SCHEMBL7052747 0.87 NPY1R (0.52) NPY1RNPC1RAB9AMCL1NAMPT
SCHEMBL7054840 0.85 NAMPT (0.52) NPY1RNPC1RAB9AMCL1NAMPT
SCHEMBL7051354 0.85 NPY1R (0.52) NPY1RNPC1RAB9AMAPTMEN1
SCHEMBL7051353 0.85 NPY1R (0.52) NPY1RNPC1RAB9AMAPTMEN1
SCHEMBL8518845 0.83 NPY1R (0.52) NPY1RMAPTHTR1ADRD2MEN1
SCHEMBL7058556 0.83 NPY1R (0.52) NPY1RMAPTHTR1ADRD2MEN1
SCHEMBL7054519 0.83 NPY1R (0.51) NPY1RNAMPTMAPTHTR1ADRD2
SCHEMBL7054513 0.83 NPY1R (0.51) NPY1RNAMPTMAPTHTR1ADRD2
SCHEMBL7056417 0.83 NPY1R (0.54) NPY1RNPC1RAB9AMCL1NAMPT

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