SCHEMBL1728058

SCHEMBL1728058

Cc1cnc(C)c(N2CCC(C(N)CN(CC=O)C(=O)O)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DPP4 P27487 4/20 0.32
OPRK1 P41145 3/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KCNH2 Q12809 2/20 0.32
PTPN11 Q06124 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
SCHEMBL1727583 0.81 GPR119 (0.38) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL1729774 0.79 LMNA (0.36) ALDH1A1HPGDKMT2ANPC1RAB9A
SCHEMBL1730312 0.79 CRHBP (0.43) ALDH1A1HPGDNPSR1KDM4EUSP2
SCHEMBL1728888 0.78 KDM4E (0.42) ALDH1A1HPGDNPSR1KMT2ANPC1
SCHEMBL1729389 0.77 DPP4 (0.43) DPP4DPP7
SCHEMBL1728022 0.77 FFAR4 (0.34) DPP4DPP8DPP9DPP7
SCHEMBL1729204 0.77 KDM4E (0.44) ALDH1A1L3MBTL1DPP4DPP8DPP9
SCHEMBL1729040 0.77 HCAR2 (0.46) ALDH1A1HPGDNPSR1KMT2ANPC1
SCHEMBL1727903 0.77 KMT2A (0.38) ALDH1A1KMT2ADPP4OPRK1DPP8
SCHEMBL1730251 0.76 DPP4 (0.42) DPP4DPP8DPP9DPP7

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