SCHEMBL2358472

SCHEMBL2358472

CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1.O=C(CC1CCNCC1)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.57
PTPN1 P18031 1/20 0.57
PTPN6 P29350 1/20 0.57
CETP P11597 2/20 0.54
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
YAP1 P46937 3/20 0.50
GLS O94925 2/20 0.48
NAMPT P43490 1/20 0.48
GPR119 Q8TDV5 2/20 0.47
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL2316963 0.94 PTPN2 (0.64) PTPN2PTPN1PTPN6CETPKDM4E
SCHEMBL2358470 0.89 PTPN2 (0.48) PTPN2PTPN1PTPN6CETPKDM4E
SCHEMBL13930857 0.88 KDM4E (0.61) PTPN2PTPN1PTPN6CETPKDM4E
SCHEMBL2319255 0.83 EPHX2 (0.60) PTPN1NAMPTALDH1A1
SCHEMBL16825852 0.82 FPR2 (0.63) PTPN2PTPN1PTPN6CETPKDM4E
SCHEMBL13930870 0.82 GPR119 (0.58) PTPN2PTPN1PTPN6CETPKDM4E
Hydrochloric Acid SCHEMBL2318668 0.82 EPHX2 (0.58) PTPN1NAMPTALDH1A1
SCHEMBL13930863 0.81 PTPN2 (0.57) PTPN2PTPN1PTPN6CETPKDM4E
SCHEMBL13930867 0.81 PTPN2 (0.57) PTPN2PTPN1PTPN6CETPKDM4E
SCHEMBL13930876 0.81 CETP (0.65) PTPN2PTPN1PTPN6CETPKDM4E

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-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO disclosed