SCHEMBL21802513

SCHEMBL21802513

Cc1cccc(-c2ccc(CN3CCN(C(=O)O)CC3)c(C)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.56
▸ GRIN2B Q13224 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.46
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MGLL Q99685 1/20 0.45

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
SCHEMBL20571132 0.91 FAAH (0.65) FAAHGRIN2BALDH1A1HTTMEN1
SCHEMBL15094215 0.84 FAAH (0.48) FAAHGRIN2BKMT2AMGLL
SCHEMBL15265238 0.83 FAAH (0.55) FAAHGRIN2BALDH1A1KDM4EGAA
SCHEMBL15263987 0.83 ALDH1A1 (0.52) FAAHGRIN2BALDH1A1HTTMEN1
SCHEMBL21868785 0.83 ICMT (0.56) FAAHGRIN2BALDH1A1HTT
SCHEMBL21802519 0.82 FAAH (0.53) FAAHGRIN2BALDH1A1MEN1KMT2A
SCHEMBL15264609 0.81 FAAH (0.46) FAAHGRIN2BALDH1A1HTTMEN1
SCHEMBL15265378 0.81 ALDH1A1 (0.45) FAAHGRIN2BALDH1A1HTTMEN1
SCHEMBL15265341 0.81 FAAH (0.50) FAAHGRIN2BALDH1A1HTTMEN1
SCHEMBL17276707 0.81 FAAH (0.63) FAAHGRIN2BALDH1A1HTTMEN1

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
EP-2800565-B1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-03-25 — — EP claimed
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