SCHEMBL29446971

SCHEMBL29446971

CC(C)(C)OC(=O)N1CCC2(CCCN2Cc2cc(O)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.54
TACR1 P25103 1/20 0.52
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL20166145 1.00 MGLL (0.54) MGLLTACR1ALDH1A1CYP2D6TSHR
SCHEMBL19582601 0.89 MGLL (0.53) MGLLTACR1ALDH1A1CYP2D6TSHR
SCHEMBL29417702 0.89 MGLL (0.53) MGLLTACR1ALDH1A1CYP2D6TSHR
SCHEMBL20503512 0.87 MGLL (0.56) MGLLTACR1ALDH1A1
SCHEMBL25802812 0.87 MGLL (0.56) MGLL
SCHEMBL20566495 0.82 MGLL (0.49) MGLLTACR1ALDH1A1
SCHEMBL30218709 0.82 MGLL (0.49) MGLLTACR1ALDH1A1
SCHEMBL19582699 0.81 MGLL (0.56) MGLL
SCHEMBL19603397 0.81 MGLL (0.46) MGLLTACR1ALDH1A1CYP2D6TSHR
SCHEMBL20168655 0.81 MGLL (0.65) MGLLTACR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541820-B1 MAGL INHIBITORS H LUNDBECK AS (DK) 2023-07-05 EP disclosed
CN-110267962-B MAGL inhibitors H.隆德贝克有限公司 2022-04-01 CN disclosed