SCHEMBL210558

SCHEMBL210558

O=C(O)c1cc(-c2cccc(Cl)c2Cl)ccc1C(C1CCCCC1)C1CCNC1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.43
IL2 P60568 2/20 0.33
CNR1 P21554 2/20 0.33
P2RX7 Q99572 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
EIF4E P06730 1/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM6B O15054 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
TSHR P16473 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL208946 0.85 P2RX7 (0.38) P2RX7ALDH1A1
SCHEMBL2999256 0.78 PDE4D (0.41)
SCHEMBL3002602 0.77 LDHA (0.36)
SCHEMBL2988655 0.77 PDE4D (0.38) CNR2ALDH1A1
SCHEMBL4065131 0.76 SLC6A3 (0.33) P2RX7ALDH1A1
SCHEMBL2993023 0.76 PDE4D (0.37) CNR2ALDH1A1
SCHEMBL2995580 0.74 CHRM1 (0.40) ALDH1A1
SCHEMBL3544149 0.73 KDM4E (0.37) GSK3B
SCHEMBL209307 0.72 PDE4D (0.41) ALDH1A1
SCHEMBL3550290 0.72 P2RX7 (0.37) P2RX7

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
US-8088776-B2 Biphenyl amide lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-01-03 US disclosed