SCHEMBL1730290

SCHEMBL1730290

COc1cccc(-c2cccc(N3CCN(C(N)CN(CC=O)C(=O)O)CC3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.43
MAPT P10636 9/20 0.40
LMNA P02545 7/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.39
MAPK1 P28482 5/20 0.39
TP53 P04637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.39
NEK2 P51955 1/20 0.39
HTT P42858 3/20 0.38
GAA P10253 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 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
SCHEMBL1729810 0.91 CNR1 (0.42) CNR1MAPTLMNAALDH1A1HPGD
SCHEMBL1727999 0.90 PDE4A (0.40) CNR1PIM1PIM2PDE4APDE4B
SCHEMBL1727733 0.89 CNR1 (0.45) CNR1MAPTLMNAALDH1A1HPGD
SCHEMBL1727644 0.87 CNR1 (0.46) CNR1PIM1PIM2SMN1; SMN2KMT2A
SCHEMBL1729847 0.84 CNR1 (0.43) CNR1PIM1PIM2PDE4APDE4B
SCHEMBL1728983 0.83 CNR1 (0.40) CNR1MAPTLMNAALDH1A1HSD17B10
SCHEMBL1728081 0.83 SUCNR1 (0.40)
SCHEMBL1727878 0.81 PDE4A (0.39) CNR1MAPTHPGDPIM1PIM2
SCHEMBL1728857 0.81 CNR1 (0.42) CNR1
SCHEMBL1730374 0.80 CNR1 (0.44) CNR1MAPTLMNAALDH1A1HSD17B10

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