SCHEMBL7054631

SCHEMBL7054631

CC1CCC(c2cccc(NC(=O)c3cccc(Cl)c3)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
NPY1R P25929 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KCNK3 O14649 2/20 0.48
KCNK9 Q9NPC2 2/20 0.48
MEN1 O00255 1/20 0.43
CASP6 P55212 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7054632 1.00 TDP1 (0.53) TDP1MAPTLMNAPOLBKDM4E
SCHEMBL7055961 0.93 NPY1R (0.57) MAPTPOLBKDM4EHTTNPY1R
SCHEMBL7055965 0.93 NPY1R (0.57) MAPTPOLBKDM4EHTTNPY1R
SCHEMBL7054695 0.92 NPY1R (0.53) TDP1MAPTLMNAPOLBKDM4E
SCHEMBL7054699 0.92 NPY1R (0.53) TDP1MAPTLMNAPOLBKDM4E
SCHEMBL7054055 0.90 NPY1R (0.49) TDP1MAPTLMNAPOLBKDM4E
SCHEMBL7054056 0.90 NPY1R (0.49) TDP1MAPTLMNAPOLBKDM4E
SCHEMBL7051912 0.89 NPY1R (0.52) TDP1MAPTLMNAPOLBKDM4E
SCHEMBL7051909 0.89 NPY1R (0.52) TDP1MAPTLMNAPOLBKDM4E
SCHEMBL7057347 0.89 NPY1R (0.52) TDP1MAPTLMNAPOLBKDM4E

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