SCHEMBL7055950

SCHEMBL7055950

C[C@H]1CC[C@](c2cccc(NC(=O)c3ccncc3)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.53
KCNK3 O14649 2/20 0.47
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
HCRTR2 O43614 1/20 0.45
HCRTR1 O43613 1/20 0.45
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.43
SLC2A1 P11166 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
KCNK9 Q9NPC2 1/20 0.41

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
SCHEMBL7055946 1.00 NPY1R (0.53) NPY1RKCNK3MAPTNPC1RAB9A
SCHEMBL7055965 0.93 NPY1R (0.57) NPY1RKCNK3MAPTNPC1RAB9A
SCHEMBL7055961 0.93 NPY1R (0.57) NPY1RKCNK3MAPTNPC1RAB9A
SCHEMBL7050030 0.90 SMN1; SMN2 (0.59) NPY1RKCNK3MAPTNPC1RAB9A
SCHEMBL7054288 0.90 NPY1R (0.51) NPY1RKCNK3MAPTNPC1RAB9A
SCHEMBL7050027 0.90 SMN1; SMN2 (0.59) NPY1RKCNK3MAPTNPC1RAB9A
SCHEMBL7050023 0.90 KCNK3 (0.44) NPY1RKCNK3MAPTNPC1RAB9A
SCHEMBL7057397 0.90 NPY1R (0.52) NPY1RMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7050021 0.90 KCNK3 (0.44) NPY1RKCNK3MAPTNPC1RAB9A
SCHEMBL7055411 0.90 NPY1R (0.52) NPY1RMAPTNPC1RAB9ASMN1; SMN2

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