SCHEMBL25919768

SCHEMBL25919768

O=C(N1CCC(c2nnc(C3(O)CC3)[nH]2)CC1)N1CC(c2ccc(OCCC3(C(F)(F)F)CC3)cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ F2R P25116 4/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ FASN P49327 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ HRH3 Q9Y5N1 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
SCHEMBL25324592 0.81 MGLL (0.32) MGLL
SCHEMBL25324500 0.71 MGLL (0.31) MGLL
SCHEMBL30553157 0.71 MGLL (0.31) MGLL
SCHEMBL25325639 0.71 F2R (0.33) F2RCNR1TMEM97MGLL
SCHEMBL25325039 0.70 MGLL (0.40) MGLL
SCHEMBL25325994 0.70 MGLL (0.34) FASNMGLL
SCHEMBL25918912 0.69 HTR2B (0.34) MAPTPOLBHTR2BMGLL
SCHEMBL30553247 0.68 MGLL (0.39) MGLL
SCHEMBL25323304 0.68 MGLL (0.39) MGLL
SCHEMBL25918770 0.68 CHRNA7 (0.41) KCNH2MGLL

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-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO disclosed
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