SCHEMBL7058673

SCHEMBL7058673

CC1CCC(c2cccc(NC(=O)c3cnc4ccccc4n3)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
HTR1A P08908 5/20 0.47
ACKR3 P25106 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ABCB1 P08183 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
CBLB Q13191 1/20 0.40

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
SCHEMBL7058676 1.00 NPY1R (0.51) NPY1RSMN1; SMN2HTR1AACKR3RAB9A
SCHEMBL7057391 0.89 MAPT (0.50) NPY1RSMN1; SMN2HTR1AACKR3RAB9A
SCHEMBL7057389 0.89 MAPT (0.50) NPY1RSMN1; SMN2HTR1AACKR3RAB9A
SCHEMBL7050479 0.88 NPY1R (0.51) NPY1RACKR3JAK2JAK3ABCB1
SCHEMBL7050483 0.88 NPY1R (0.51) NPY1RACKR3JAK2JAK3ABCB1
SCHEMBL7051872 0.87 NPY1R (0.54) NPY1RHTR1AMAPTCBLB
SCHEMBL7051873 0.87 NPY1R (0.54) NPY1RHTR1AMAPTCBLB
SCHEMBL7051383 0.87 NPY1R (0.55) NPY1RSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL7051385 0.87 NPY1R (0.55) NPY1RSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL7055493 0.86 NPY1R (0.52) NPY1RSMN1; SMN2HTR1AACKR3RAB9A

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