SCHEMBL1729295

SCHEMBL1729295

NC(CN(CC=O)C(=O)O)C1CCN(c2cc(-n3ccnc3)ncn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.37
EGLN2 Q96KS0 3/20 0.36
NOS2 P35228 2/20 0.36
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
ALOX15 P16050 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CLK4 Q9HAZ1 2/20 0.35
HCRTR2 O43614 1/20 0.33
CYP2C19 P33261 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
TSHR P16473 1/20 0.32
CHRNA7 P36544 2/20 0.32
HTR3A P46098 2/20 0.32
CD38 P28907 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 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
SCHEMBL1729204 0.79 KDM4E (0.44) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL1728039 0.77 RXRA (0.42)
SCHEMBL1728013 0.76 FFAR4 (0.50) CYP2D6KDM4EALDH1A1MAPT
SCHEMBL1730251 0.76 DPP4 (0.42) HTR3A
SCHEMBL1729376 0.76 P4HTM (0.39) P4HTMEGLN2NOS2CYP1A2CYP3A4
SCHEMBL1728022 0.75 FFAR4 (0.34)
SCHEMBL1727583 0.74 GPR119 (0.38) KDM4E
SCHEMBL1729289 0.74 P4HTM (0.38) P4HTMEGLN2NOS2CYP1A2CYP3A4
SCHEMBL1730042 0.74 HSD17B10 (0.44) CYP3A4HSD17B10ALDH1A1HPGD
SCHEMBL1730161 0.73 DEGS1 (0.43) KDM4EMAPT

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