SCHEMBL1728003

SCHEMBL1728003

O=C(O)NCC1CCN(c2cc(-n3ccnc3)ncn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD38 P28907 3/20 0.43
P4HTM Q9NXG6 1/20 0.42
NOS2 P35228 1/20 0.42
NAPEPLD Q6IQ20 1/20 0.42
EGLN2 Q96KS0 2/20 0.41
NSD2 O96028 1/20 0.39
CKS1B P61024 4/20 0.39
SKP1 P63208 4/20 0.39
SKP2 Q13309 4/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
CHEK1 O14757 1/20 0.38
CHEK2 O96017 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 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
SCHEMBL1728910 0.89 CHRM4 (0.44) CD38P4HTMNOS2EGLN2
SCHEMBL3266167 0.84 NOS2 (0.38) CD38P4HTMNOS2NAPEPLDEGLN2
SCHEMBL27920414 0.77 GPR119 (0.48) CKS1BSKP1SKP2CYP3A4CYP2D6
SCHEMBL1729376 0.77 P4HTM (0.39) P4HTMNOS2NAPEPLDEGLN2CYP1A2
SCHEMBL13736723 0.77 CKS1B (0.41) CKS1BSKP1SKP2HSD17B10CHEK1
SCHEMBL3265541 0.76 SIRT2 (0.41) CD38P4HTMNOS2EGLN2CHEK1
SCHEMBL1729289 0.76 P4HTM (0.38) P4HTMNOS2NAPEPLDEGLN2CYP1A2
SCHEMBL1729041 0.75 NPC1 (0.55) CKS1BSKP1SKP2TSHR
SCHEMBL5722152 0.73 NOS2 (0.52) NOS2
SCHEMBL1774210 0.72 LOXL2 (0.41) CKS1BSKP1SKP2HSD17B10TSHR

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