SCHEMBL13626256

SCHEMBL13626256

C/C(=N\OC(=O)N1CCCCC1)c1cccc(-c2cccs2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CCKAR P32238 1/20 0.60
HTR5A P47898 1/20 0.60
ABL1 P00519 4/20 0.44
BCR P11274 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
RHOA P61586 1/20 0.44
GPR119 Q8TDV5 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL4452303 1.00 HTR1A (0.60) HTR1AADORA3CCKARHTR5AABL1
SCHEMBL13627044 0.84 POLB (0.52) HTR1AADORA3CCKARHTR5APOLB
SCHEMBL4313684 0.84 POLB (0.52) HTR1AADORA3CCKARHTR5APOLB
SCHEMBL4049840 0.79 HDAC3 (0.47) HTR1AADORA3CCKARHTR5AABL1
SCHEMBL16454928 0.77 SMN1; SMN2 (0.52) POLBNPC1ALDH1A1HPGDRAB9A
SCHEMBL4326042 0.75 HDAC3 (0.43) ABL1BCRHDAC3HDAC1HDAC2
SCHEMBL13626452 0.75 HTR1A (1.00) HTR1AADORA3CCKARHTR5APOLB
SCHEMBL4318956 0.75 HTR1A (1.00) HTR1AADORA3CCKARHTR5APOLB
SCHEMBL4323646 0.73 NPSR1 (0.49) HDAC1POLBNPC1ALDH1A1HPGD
SCHEMBL4313679 0.71 HTR1A (0.55) HTR1AADORA3CCKARHTR5AHDAC3

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 disclosed