SCHEMBL3347845

SCHEMBL3347845

O=C(O)N1CCC2(CC1)C[C@@H](c1noc(-c3ccc(OC(F)(F)F)cc3)n1)CO2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.47
S1PR1 P21453 1/20 0.41
EPHX2 P34913 4/20 0.40
TRPM8 Q7Z2W7 6/20 0.38
TRPV1 Q8NER1 3/20 0.38
USP30 Q70CQ3 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
CNR1 P21554 1/20 0.38
F2R P25116 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 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
SCHEMBL3347840 1.00 MGLL (0.47) MGLLS1PR1EPHX2TRPM8TRPV1
SCHEMBL2424131 0.89 MGLL (0.48) MGLLEPHX2USP30LMNAKMT2A
SCHEMBL3353056 0.88 KMT2A (0.50) MGLLTRPM8TRPV1LMNAKMT2A
SCHEMBL3353050 0.88 KMT2A (0.50) MGLLTRPM8TRPV1LMNAKMT2A
SCHEMBL2427480 0.84 EPHX2 (0.42) MGLLEPHX2TRPM8TRPV1
SCHEMBL2427211 0.84 EPHX2 (0.42) MGLLEPHX2TRPM8TRPV1
SCHEMBL2420601 0.83 USP7 (0.43) MGLLS1PR1USP30LMNAKMT2A
SCHEMBL2427483 0.83 EPHX2 (0.41) MGLLEPHX2TRPM8TRPV1
SCHEMBL13363342 0.82 MGLL (0.41) MGLLEPHX2TRPM8TRPV1
Hydrochloric Acid SCHEMBL2427020 0.82 USP7 (0.42) MGLLS1PR1USP30LMNAKMT2A

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