SCHEMBL7872565

SCHEMBL7872565

CC1CCC(c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.52
BACE1 P56817 1/20 0.46
MAPT P10636 5/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGS1 P23219 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 3/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACKR3 P25106 1/20 0.43

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
SCHEMBL7872563 1.00 NPY1R (0.52) NPY1RBACE1MAPTLMNAALDH1A1
SCHEMBL7872557 0.94 NPY1R (0.51) NPY1RMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7872560 0.94 NPY1R (0.51) NPY1RMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7055965 0.92 NPY1R (0.57) NPY1RMAPTSMN1; SMN2POLBKDM4E
SCHEMBL7055961 0.92 NPY1R (0.57) NPY1RMAPTSMN1; SMN2POLBKDM4E
SCHEMBL7049987 0.91 NPY1R (0.53) NPY1RMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7049983 0.91 NPY1R (0.53) NPY1RMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7054699 0.89 NPY1R (0.53) NPY1RMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7055533 0.89 NPY1R (0.53) NPY1RMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7054695 0.89 NPY1R (0.53) NPY1RMAPTLMNAALDH1A1SMN1; 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 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
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