SCHEMBL4444433

SCHEMBL4444433

CC(C)N1CCC(CCCN(c2ccc3c(c2)CCN(S(C)(=O)=O)C3)C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.43
ESR1 P03372 2/20 0.43
MOGAT2 Q3SYC2 10/20 0.42
KDM2B Q8NHM5 1/20 0.38
HRH3 Q9Y5N1 4/20 0.36
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KA5 O75582 1/20 0.33
RPS6KA4 O75676 1/20 0.33
KIT P10721 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CDK2 P24941 1/20 0.33
FLT3 P36888 1/20 0.33
RPS6KA3 P51812 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
RPS6KB2 Q9UBS0 1/20 0.33
RPS6KA6 Q9UK32 1/20 0.33
RORC P51449 1/20 0.32

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
SCHEMBL3179194 0.86 GPR119 (0.43) ESR2ESR1KDM2B
SCHEMBL4563873 0.81 MOGAT2 (0.54) ESR2ESR1MOGAT2
SCHEMBL4437451 0.80 HRH3 (0.53) ESR2ESR1MOGAT2HRH3
SCHEMBL4437654 0.79 MCHR1 (0.49) ESR2ESR1MOGAT2KDM2B
SCHEMBL4434575 0.77 ESR1 (0.42) ESR2ESR1MOGAT2KDM2BHRH3
SCHEMBL3193447 0.77 GPR119 (0.45) ESR2ESR1KDM2B
SCHEMBL3192062 0.75 GPR119 (0.42) ESR2ESR1KDM2B
SCHEMBL3181293 0.75 GPR119 (0.42) ESR2ESR1KDM2B
SCHEMBL3177123 0.75 GPR119 (0.41) ESR2ESR1KDM2B
SCHEMBL13531818 0.74 GPR119 (0.46) ESR2ESR1KDM2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP claimed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO claimed