SCHEMBL7054360

SCHEMBL7054360

CC1CCC(c2cccc(NC(=O)c3ccc(F)c(F)c3F)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 4/20 0.51
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MALT1 Q9UDY8 1/20 0.39
SETD2 Q9BYW2 4/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HCRTR1 O43613 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SCN9A Q15858 1/20 0.38

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
SCHEMBL7054358 1.00 NPY1R (0.51) NPY1RMAPTMEN1KMT2AMALT1
SCHEMBL7057059 0.90 NPY1R (0.52) NPY1RMAPTMEN1KMT2AMALT1
SCHEMBL7057055 0.90 NPY1R (0.52) NPY1RMAPTMEN1KMT2AMALT1
SCHEMBL7054507 0.90 NPY1R (0.53) NPY1RMAPTMEN1KMT2AHTT
SCHEMBL7054509 0.90 NPY1R (0.53) NPY1RMAPTMEN1KMT2AHTT
SCHEMBL7055962 0.90 NPY1R (0.52) NPY1RMAPTMEN1KMT2AMALT1
SCHEMBL7055959 0.90 NPY1R (0.52) NPY1RMAPTMEN1KMT2AMALT1
SCHEMBL7867420 0.87 NPY1R (0.49) NPY1RMAPTMEN1KMT2AHTT
SCHEMBL7867423 0.87 NPY1R (0.49) NPY1RMAPTMEN1KMT2AHTT
SCHEMBL7057347 0.87 NPY1R (0.52) NPY1RMAPTMEN1KMT2ASETD2

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