SCHEMBL7057347

SCHEMBL7057347

C[C@H]1CC[C@](c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.52
MAPT P10636 5/20 0.43
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM1 P11229 1/20 0.41
KDM1A O60341 2/20 0.41
SETD2 Q9BYW2 4/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
CES1 P23141 1/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NSD2 O96028 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
SCHEMBL7057346 1.00 NPY1R (0.52) NPY1RMAPTKDM4ETSHRTP53
SCHEMBL7054056 0.92 NPY1R (0.49) NPY1RMAPTKDM4ETSHRTP53
SCHEMBL7054055 0.92 NPY1R (0.49) NPY1RMAPTKDM4ETSHRTP53
SCHEMBL7049983 0.91 NPY1R (0.53) NPY1RMAPTKDM4ETSHRTP53
SCHEMBL7049987 0.91 NPY1R (0.53) NPY1RMAPTKDM4ETSHRTP53
SCHEMBL7867333 0.91 NPY1R (0.50) NPY1RMAPTKDM4ETSHRTP53
SCHEMBL7867328 0.91 NPY1R (0.50) NPY1RMAPTKDM4ETSHRTP53
SCHEMBL7051909 0.90 NPY1R (0.52) NPY1RMAPTKDM4ETSHRTP53
SCHEMBL7051912 0.90 NPY1R (0.52) NPY1RMAPTKDM4ETSHRTP53
SCHEMBL7055965 0.90 NPY1R (0.57) NPY1RMAPTKDM4ETSHRTP53

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