SCHEMBL3346543

SCHEMBL3346543

O=C(O)N1CCC2(CC1)C[C@@H](c1ccc(OCc3ccccc3)cc1)CO2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.48
FFAR1 O14842 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.42
MAOB P27338 3/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
TP53 P04637 1/20 0.41
NAAA Q02083 1/20 0.41
HTT P42858 1/20 0.41
S1PR5 Q9H228 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3346536 1.00 MGLL (0.48) MGLLFFAR1MRGPRX4MAOBHRH3
SCHEMBL3347944 0.89 MGLL (0.53) MGLLFFAR1MAOBNAAA
SCHEMBL2425943 0.89 MGLL (0.53) MGLLFFAR1MAOBNAAA
SCHEMBL2425979 0.87 YAP1 (0.49) MGLL
SCHEMBL18446074 0.84 MGLL (0.50) MGLL
SCHEMBL3346282 0.81 MGLL (0.51) MGLL
SCHEMBL3350922 0.81 MGLL (0.51) MGLL
SCHEMBL3346286 0.81 MGLL (0.51) MGLL
SCHEMBL27037680 0.79 MRGPRX4 (0.57) MRGPRX4HRH3TP53HTTL3MBTL1
SCHEMBL18445935 0.78 FFAR1 (0.47) MGLLFFAR1

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