SCHEMBL1729369

SCHEMBL1729369

CNC(CN1CCCN(c2ccc([N+](=O)[O-])cn2)CC1)CN(CC=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 6/20 0.45
LMNA P02545 3/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
PKM P14618 1/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ATM Q13315 1/20 0.42
PANK3 Q9H999 1/20 0.42
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
NPY2R P49146 1/20 0.35

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
SCHEMBL1729366 0.75 MAPT (0.47) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1729007 0.74 PKM (0.47) ALDH1A1PKMKMT2AKDM4E
SCHEMBL1729364 0.72 KMT2A (0.50) MAPTALDH1A1LMNANPSR1PKM
SCHEMBL1727832 0.72 RAB9A (0.45) MAPTMAPK1POLB
SCHEMBL2828726 0.71 MAPT (0.63) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1729601 0.70 MAPT (0.56) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1729600 0.70 MAPT (0.56) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL940256 0.69 MAPT (0.93) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL29739445 0.69 MAPT (0.93) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1727884 0.69 HTR1A (0.44) MAPTALDH1A1LMNAMEN1KMT2A

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