SCHEMBL4314616

SCHEMBL4314616

CC(=NOC(=O)Nc1ccccc1)c1ccc(-n2c(C)ccc2C)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 4/20 0.61
RAB9A P51151 3/20 0.61
HPGD P15428 3/20 0.61
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 1/20 0.54
POLB P06746 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR1A P08908 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CCKAR P32238 1/20 0.49
HTR5A P47898 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.44

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
SCHEMBL13172256 0.84 HTR1A (0.63) ALDH1A1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL4323598 0.82 ALDH1A1 (0.48) ALDH1A1MAPTRAB9AHPGDHTT
SCHEMBL4327763 0.82 ALDH1A1 (0.48) ALDH1A1MAPTRAB9AHPGDHTT
SCHEMBL13626630 0.81 HTR1A (0.61) ALDH1A1MAPTSMN1; SMN2POLBHTR1A
SCHEMBL4311261 0.81 HTR1A (0.61) ALDH1A1MAPTSMN1; SMN2POLBHTR1A
SCHEMBL4454995 0.73 HTR1A (0.81) ALDH1A1MAPTRAB9AHPGDPOLB
SCHEMBL13626236 0.73 HTR1A (0.81) ALDH1A1MAPTRAB9AHPGDPOLB
SCHEMBL4454997 0.73 HTR1A (0.81) ALDH1A1MAPTRAB9AHPGDPOLB
SCHEMBL1674417 0.73 FAAH (0.62) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL4323726 0.73 HTR1A (0.74) POLBHTR1AADORA3CCKARHTR5A

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-2009138416-A1 OXIME CARBAMOYL DERIVATIVES AS MODULATORS OF FATTY ACID AMIDES HYDROLASE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-11-19 WO claimed