SCHEMBL7867420

SCHEMBL7867420

C[C@H]1CC[C@](c2cccc(NC(=O)c3cccc(C(F)(F)F)c3F)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.49
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNK3 O14649 3/20 0.41
KCNK9 Q9NPC2 3/20 0.41
PTGS1 P23219 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
ACKR3 P25106 1/20 0.40
CBLB Q13191 1/20 0.39
POLB P06746 2/20 0.39
LCK P06239 1/20 0.39
KDR P35968 1/20 0.39
MAPK14 Q16539 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
SCHEMBL7867423 1.00 NPY1R (0.49) NPY1RMAPTHTTKDM4EALDH1A1
SCHEMBL7054507 0.88 NPY1R (0.53) NPY1RMAPTHTTKDM4EALDH1A1
SCHEMBL7054509 0.88 NPY1R (0.53) NPY1RMAPTHTTKDM4EALDH1A1
SCHEMBL7054358 0.87 NPY1R (0.51) NPY1RMAPTHTTKDM4EALDH1A1
SCHEMBL7054360 0.87 NPY1R (0.51) NPY1RMAPTHTTKDM4EALDH1A1
SCHEMBL7055959 0.85 NPY1R (0.52) NPY1RMAPTHTTKDM4EALDH1A1
SCHEMBL7055962 0.85 NPY1R (0.52) NPY1RMAPTHTTKDM4EALDH1A1
SCHEMBL7872563 0.85 NPY1R (0.52) NPY1RMAPTHTTKDM4EALDH1A1
SCHEMBL7872565 0.85 NPY1R (0.52) NPY1RMAPTHTTKDM4EALDH1A1
SCHEMBL7050382 0.85 NPY1R (0.53) NPY1RMAPTALDH1A1LMNAKCNK3

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