SCHEMBL11116765

SCHEMBL11116765

CC1(C)CCC(C(=O)c2ccc(Cl)cc2)N1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.41
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRNA7 P36544 2/20 0.38
KDM2B Q8NHM5 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
MEN1 O00255 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
SCHEMBL18607990 0.69 MGLL (0.44) MGLLMAPTALDH1A1KDM2B
SCHEMBL12361339 0.69 MGLL (0.44) MGLLMAPTALDH1A1KDM2B
SCHEMBL18589371 0.69 MGLL (0.44) MGLLMAPTALDH1A1KDM2B
SCHEMBL22452853 0.68
(4-Chlorophenyl)(Cyclopropyl)Methanone SCHEMBL392801 0.68 MGLL (0.68) MGLLKMT2ALMNAMAPTTP53
SCHEMBL11311666 0.68 MGLL (0.43) MGLLKMT2ALMNAMAPTTP53
Hydrochloric Acid SCHEMBL1429846 0.68 MGLL (0.43) MGLLMAPTALDH1A1
Hydrochloric Acid SCHEMBL1429848 0.68 MGLL (0.43) MGLLMAPTALDH1A1
SCHEMBL10112658 0.67 SLC6A2 (0.41) GAAALDH1A1
SCHEMBL17190116 0.66 GLI1 (0.36)

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-0128120-A2 Trisubstituted oxazolidinones CIBA-GEIGY AG (CH) 1984-12-12 EP disclosed