SCHEMBL7051354

SCHEMBL7051354

C[C@H]1CC[C@](c2cccc(NC(=O)c3ccsc3)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.52
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
HPGD P15428 1/20 0.45
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ACKR3 P25106 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
HCRTR1 O43613 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 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
SCHEMBL7051353 1.00 NPY1R (0.52) NPY1RKCNK3KCNK9HPGDNPC1
SCHEMBL7055961 0.90 NPY1R (0.57) NPY1RKCNK3KCNK9NPC1RAB9A
SCHEMBL7055965 0.90 NPY1R (0.57) NPY1RKCNK3KCNK9NPC1RAB9A
SCHEMBL7049987 0.86 NPY1R (0.53) NPY1RKCNK3KCNK9HPGDNPC1
SCHEMBL7049983 0.86 NPY1R (0.53) NPY1RKCNK3KCNK9HPGDNPC1
SCHEMBL7054699 0.86 NPY1R (0.53) NPY1RKCNK3HPGDNPC1RAB9A
SCHEMBL7054695 0.86 NPY1R (0.53) NPY1RKCNK3HPGDNPC1RAB9A
SCHEMBL7055533 0.86 NPY1R (0.53) NPY1RHPGDNPC1RAB9AMAPT
SCHEMBL7055950 0.86 NPY1R (0.53) NPY1RKCNK3KCNK9NPC1RAB9A
SCHEMBL7055531 0.86 NPY1R (0.53) NPY1RHPGDNPC1RAB9AMAPT

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