SCHEMBL24970004

SCHEMBL24970004

Cc1cccc(CN2CCN(C(=O)n3ccc(C(=O)OC(C)(C)C)n3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.54
MGLL Q99685 3/20 0.54
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL20566497 0.89 FAAH (0.56) FAAHMGLLALDH1A1KMT2A
SCHEMBL30302100 0.87 FAAH (0.69) FAAHMGLLALDH1A1KDM4E
SCHEMBL20566972 0.87 FAAH (0.69) FAAHMGLLALDH1A1KDM4E
SCHEMBL20566975 0.84 FAAH (0.66) FAAHMGLL
SCHEMBL20566887 0.83 MGLL (0.63) FAAHMGLL
SCHEMBL30302111 0.83 MGLL (0.63) FAAHMGLL
SCHEMBL25487231 0.83 FAAH (0.50) FAAHMGLL
SCHEMBL20920371 0.79 FAAH (0.49) FAAHMGLL
SCHEMBL25487151 0.79 FAAH (0.63) FAAHMGLLALDH1A1
SCHEMBL20567312 0.79 FAAH (0.54) FAAHMGLL

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-3630744-B1 PYRAZOLE MAGL INHIBITORS H LUNDBECK AS (DK) 2023-01-25 EP disclosed