SCHEMBL4437656

SCHEMBL4437656

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ HDAC1 Q13547 4/20 0.40
▸ KDM2B Q8NHM5 1/20 0.39
▸ MOGAT2 Q3SYC2 1/20 0.36
▸ HRH3 Q9Y5N1 6/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ 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

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
SCHEMBL3171912 0.85 ESR1 (0.43) ESR2ESR1HDAC1KDM2BALDH1A1
SCHEMBL3171918 0.85 ESR1 (0.43) ESR2ESR1HDAC1KDM2BALDH1A1
SCHEMBL3189272 0.76 ESR1 (0.43) ESR2ESR1HDAC1KDM2B
SCHEMBL3189285 0.76 ESR1 (0.43) ESR2ESR1HDAC1KDM2B
SCHEMBL3178811 0.76 ESR2 (0.46) ESR2ESR1HDAC1KDM2BALDH1A1
SCHEMBL3178807 0.76 ESR2 (0.46) ESR2ESR1HDAC1KDM2BALDH1A1
SCHEMBL4563873 0.76 MOGAT2 (0.54) ESR2ESR1MOGAT2
SCHEMBL4437451 0.75 HRH3 (0.53) ESR2ESR1MOGAT2HRH3
SCHEMBL4437654 0.73 MCHR1 (0.49) ESR2ESR1HDAC1KDM2BMOGAT2
SCHEMBL4444433 0.73 ESR2 (0.43) ESR2ESR1KDM2BMOGAT2HRH3

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
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