SCHEMBL3723985

SCHEMBL3723985

O=C1CC2CN(C(=O)O)CCN2c2ccc([N+](=O)[O-])cc2N1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL3723983 1.00 LMNA (0.42) LMNAGAAMAPTTDP1ALDH1A1
SCHEMBL2018224 0.86 LMNA (0.47) LMNAGAAMAPTALDH1A1
SCHEMBL692372 0.82 CA9 (0.35) GAAMAPTTDP1HTTMEN1
SCHEMBL691717 0.82 MDM2 (0.37) LMNA
SCHEMBL29697836 0.82 DPP4 (0.45) LMNAGAAMAPTTDP1ALDH1A1
SCHEMBL691094 0.79 SIGMAR1 (0.43) GAAMAPTALDH1A1HTTMEN1
SCHEMBL691883 0.78 HTR2C (0.41) ALDH1A1MEN1KMT2A
SCHEMBL3626167 0.77 BRD4 (0.39) GAAALDH1A1KMT2A
SCHEMBL3630035 0.77 BRD4 (0.39) GAAALDH1A1KMT2A
SCHEMBL16819095 0.76 TSHR (0.38) MAPTHTTMEN1KMT2A

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-2010124042-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed