SCHEMBL3353050

SCHEMBL3353050

O=C(O)N1CCC2(CC1)CC(c1noc(-c3ccc(C(F)(F)F)cc3)n1)CO2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
MGLL Q99685 3/20 0.38
DGAT1 O75907 3/20 0.38
KCNH2 Q12809 3/20 0.38
USP7 Q93009 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
STAT3 P40763 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
HSD11B1 P28845 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
SCHEMBL3353056 1.00 KMT2A (0.50) KMT2ALMNAKDM4EMEN1TSHR
SCHEMBL3347845 0.88 MGLL (0.47) KMT2ALMNAMGLLTRPV1TRPM8
SCHEMBL3347840 0.88 MGLL (0.47) KMT2ALMNAMGLLTRPV1TRPM8
SCHEMBL2427670 0.87 KMT2A (0.48) KMT2ALMNAKDM4EMEN1TSHR
SCHEMBL2338358 0.86 KMT2A (0.53) KMT2ALMNAKDM4EMEN1TSHR
SCHEMBL2427378 0.83 KMT2A (0.44) KMT2ALMNAKDM4EMEN1TSHR
SCHEMBL2432969 0.83 KMT2A (0.44) KMT2ALMNAKDM4EMEN1TSHR
SCHEMBL2424231 0.82 KMT2A (0.43) KMT2ALMNAKDM4EMEN1TSHR
Hydrochloric Acid SCHEMBL2424245 0.81 KMT2A (0.47) KMT2ALMNAKDM4EMEN1TSHR
SCHEMBL2427671 0.80 KMT2A (0.46) KMT2ALMNAKDM4EMEN1TSHR

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
WO-2010058318-A1 1-OXA-8-AZASPIRO [4, 5 ] DECANE- 8 -CARBOXAMIDE COMPOUNDS AS FAAH INHIBITORS PFIZER INC. (US) 2010-05-27 WO disclosed