SCHEMBL1729376

SCHEMBL1729376

NC(=O)CN(CC1CCN(c2cc(-n3ccnc3)ncn2)CC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.39
EGLN2 Q96KS0 3/20 0.38
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CLK4 Q9HAZ1 2/20 0.37
NOS2 P35228 1/20 0.36
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
HCRTR2 O43614 1/20 0.34
CYP2C19 P33261 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
TSHR P16473 1/20 0.34
CHRNA7 P36544 2/20 0.34
HTR3A P46098 2/20 0.34
S1PR1 P21453 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1729289 0.90 P4HTM (0.38) P4HTMEGLN2CYP1A2CYP3A4CYP2D6
SCHEMBL1728046 0.78 NPC1 (0.49) CYP1A2HSD17B10HRH4TSHRKDM4E
SCHEMBL1728003 0.77 CD38 (0.43) P4HTMEGLN2CYP1A2CYP3A4CYP2D6
SCHEMBL1728910 0.76 CHRM4 (0.44) P4HTMEGLN2NOS2HCRTR2CYP2C9
SCHEMBL1729295 0.76 P4HTM (0.37) P4HTMEGLN2CYP1A2CYP3A4CYP2D6
SCHEMBL3266167 0.75 NOS2 (0.38) P4HTMEGLN2NOS2CHEK1CHEK2
SCHEMBL3265541 0.74 SIRT2 (0.41) P4HTMEGLN2NOS2CHEK1CHEK2
SCHEMBL1729035 0.72 FFAR4 (0.37) CYP3A4
SCHEMBL1727687 0.71 PDE10A (0.43) KDM4ELMNASMN1; SMN2
SCHEMBL1730318 0.71 HRH3 (0.43) KDM4ELMNASMN1; SMN2

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