SCHEMBL7054513

SCHEMBL7054513

C[C@H]1CC[C@](c2cccc(NC(=O)C(=O)CN3CCSCC3)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 5/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
DRD2 P14416 2/20 0.38
HTR1A P08908 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
NAMPT P43490 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
HCRTR1 O43613 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7054519 1.00 NPY1R (0.51) NPY1RSMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL7058556 0.91 NPY1R (0.52) NPY1RSMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL7058709 0.91 NPY1R (0.52) NPY1RSMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL7058711 0.91 NPY1R (0.52) NPY1RSMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL8518845 0.91 NPY1R (0.52) NPY1RSMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL7057014 0.83 NPY1R (0.51) NPY1RSMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL7057017 0.83 NPY1R (0.51) NPY1RSMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL7052747 0.82 NPY1R (0.52) NPY1RMAPTPOLBALDH1A1DRD2
SCHEMBL7056417 0.82 NPY1R (0.54) NPY1RSMN1; SMN2MAPTPOLBLMNA
SCHEMBL7055944 0.82 NPY1R (0.55) NPY1RMAPTPOLBLMNADRD2

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 3 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-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