SCHEMBL15548759

SCHEMBL15548759

CCCCCCCCC(c1c[nH]c2ccccc12)N(CC)CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.55
FFAR1 O14842 2/20 0.55
HTR2A P28223 3/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP2D6 P10635 3/20 0.42
SLC6A2 P23975 2/20 0.42

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
SCHEMBL4979016 0.81 GPR84 (0.77) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL5851064 0.81 GPR84 (0.77) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL17540815 0.81 GPR84 (0.62) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL8959988 0.80 GPR84 (0.60) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL5822295 0.80 GPR84 (0.79) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL27590147 0.79 GPR84 (0.59) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL27976193 0.78 GPR84 (0.57) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL25291739 0.77 GPR84 (0.60) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL21324414 0.77 GPR84 (0.64) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL17773055 0.76 GPR84 (0.54) GPR84FFAR1HTR2AHTR2CHTR2B

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-2013180656-A1 ICMT Inhibitors NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-12-05 WO disclosed