SCHEMBL7958841

SCHEMBL7958841

Cc1nc(Cl)c([N+](=O)[O-])c(N2[C@H](C)CCC[C@@H]2C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.39
MAPK1 P28482 4/20 0.37
NPSR1 Q6W5P4 4/20 0.37
HTT P42858 3/20 0.36
NPC1 O15118 1/20 0.36
CUL4A Q13619 1/20 0.34
ACHE P22303 3/20 0.34
ALDH1A1 P00352 5/20 0.33
POLB P06746 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31

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
SCHEMBL5773495 0.75 HTT (0.52) MAPK1HTTNPC1ALDH1A1POLB
SCHEMBL7958670 0.75 NPY5R (0.43) NPY5RALDH1A1HPGD
SCHEMBL1123974 0.73 MAPT (0.39) NPSR1NPC1ALDH1A1POLBMAPT
SCHEMBL9122461 0.71 MAPT (0.47) HTTALDH1A1MAPTKMT2ACYP1A2
SCHEMBL9126475 0.70 ALDH1A1 (0.56) MAPK1NPSR1HTTALDH1A1MAPT
SCHEMBL17376374 0.70 FFAR2 (0.43) MAPK1NPSR1ALDH1A1MAPTMEN1
SCHEMBL17376514 0.70 FFAR2 (0.43) MAPK1NPSR1ALDH1A1MAPTMEN1
SCHEMBL6947517 0.69 MEN1 (0.44) NPY5RMAPK1HTTNPC1ALDH1A1
SCHEMBL7077196 0.68 MAPT (0.43) MAPK1NPSR1NPC1ALDH1A1POLB
SCHEMBL14786602 0.65 MAPT (0.38) HTTNPC1ALDH1A1MAPTMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed