SCHEMBL28758554

SCHEMBL28758554

CC(C)C(N)c1c(C(=O)O)nn(-c2ccccc2Cl)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
HDAC1 Q13547 2/20 0.37
POLB P06746 1/20 0.37
ADORA2A P29274 1/20 0.37
PDE4B Q07343 1/20 0.36
RIPK1 Q13546 1/20 0.35
HSD11B1 P28845 1/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5339164 0.82 CNR1 (0.52) CNR1
SCHEMBL6776605 0.79 KDM4E (0.40) CNR1PDE4BKMT2AKDM4EMAPT
SCHEMBL6768891 0.70 CNR1 (0.39) CNR1PDE4BKMT2AKDM4EALDH1A1
SCHEMBL27889663 0.69 MAPK1 (0.48) RIPK1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL14806692 0.67 CNR1 (0.53) CNR1
SCHEMBL9183491 0.67 MAPK1 (0.68) POLBRIPK1MEN1KMT2AL3MBTL1
SCHEMBL27653228 0.67 CNR1 (0.50) CNR1
SCHEMBL6766433 0.67 CNR1 (0.44) CNR1HPGD
SCHEMBL6515355 0.65 ALDH1A1 (0.46) POLBADORA2APDE4BRIPK1HSD11B1
SCHEMBL4172241 0.65 ALDH1A1 (0.52) HDAC1PDE4BRIPK1HSD11B1TP53

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
CN-1777605-A Cannabined receptor ligands and uses thereof PFIZER (US) 2006-05-24 CN disclosed