SCHEMBL5599302

SCHEMBL5599302

O=C(Nc1ccc([N+](=O)[O-])cc1)N1c2ccccc2C2(CCNCC2)[C@H]1CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.37
ABCB1 P08183 1/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL5599670 0.70 CYP2C19 (0.44) MEN1KMT2AMAPTALDH1A1MAOB
SCHEMBL5578971 0.69 SIGMAR1 (0.48) MEN1KMT2AMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL7007458 0.66 NPY5R (0.49) ALDH1A1L3MBTL1POLBCYP1A2CYP2D6
SCHEMBL5599673 0.66 POLB (0.46) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL2300428 0.64 MAPT (0.47) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL4016784 0.64 ALDH1A1 (0.73) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL7258861 0.64 GAA (0.74) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL7249256 0.63 FAAH (0.75) MEN1KMT2AMAPTHTTLMNA
SCHEMBL15308418 0.62 MEN1 (0.78) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL15306500 0.61 NAMPT (0.72) MEN1KMT2AMAPTALDH1A1HTT

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
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed