SCHEMBL4079764

SCHEMBL4079764

Cc1cccc(C=O)c1C1CCNC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.44
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36

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
SCHEMBL14237035 0.78 ALDH1A1 (0.47) ALDH1A1TSHRTRIM24TRIM33
SCHEMBL1663468 0.74 HTR2C (0.43) HTR2C
SCHEMBL8433245 0.74 DRD2 (0.49) HTR2C
SCHEMBL27881953 0.73 ALDH1A1 (0.42) ALDH1A1TSHRTRIM24TRIM33
SCHEMBL11150148 0.73 HTR2C (0.44) HTR2C
SCHEMBL28336775 0.73 HTR2C (0.44) HTR2CTSHR
SCHEMBL2716395 0.73 HTR2C (0.63) HTR2C
Hydrochloric Acid SCHEMBL4518439 0.71 HTR2C (0.65) HTR2C
SCHEMBL27881931 0.71 CYP2C9 (0.40) ALDH1A1TSHRTRIM24TRIM33
SCHEMBL26530980 0.69 HTR2C (0.80) HTR2C

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-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed