SCHEMBL1729366

SCHEMBL1729366

CNC(=O)CN(CCCN1CCCN(c2ccc([N+](=O)[O-])cn2)CC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
PKM P14618 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ATM Q13315 1/20 0.44
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PANK3 Q9H999 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40
HTR1A P08908 3/20 0.40

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
SCHEMBL1729600 0.79 MAPT (0.56) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1729601 0.79 MAPT (0.56) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL2757301 0.79 MAPT (0.47) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL27037013 0.78 MAPT (0.53) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1729369 0.75 MAPT (0.46) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1727889 0.73 HTR2A (0.51) LMNAHTR1ADRD2HTR2ADRD4
SCHEMBL1728997 0.73 DRD2 (0.42) HTR1ADRD2HTR2ADRD4HTR2C
SCHEMBL1729003 0.72 PKM (0.48) ALDH1A1PKMKMT2AMAPK1KDM4E
SCHEMBL1729043 0.71 EGLN1 (0.41) KMT2AHTR1AHTR2ADRD4SLC6A4
SCHEMBL1729362 0.71 POLB (0.54) MAPTALDH1A1LMNANPSR1PKM

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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed