SCHEMBL6973538

SCHEMBL6973538

CC(C)(C)OC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N1CC(F)CC1C#N

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAP Q12884 3/20 0.46
ESR2 Q92731 1/20 0.43
PTPN1 P18031 3/20 0.42
DPP4 P27487 8/20 0.40
HDAC8 Q9BY41 5/20 0.40
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
PREP P48147 1/20 0.38

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
SCHEMBL5206039 1.00 FAP (0.46) FAPESR2PTPN1DPP4HDAC8
SCHEMBL5202232 0.89 HDAC8 (0.47) FAPPTPN1DPP4HDAC8DPP8
SCHEMBL5206014 0.89 FAP (0.52) FAPDPP4DPP8DPP9DPP7
SCHEMBL5206796 0.86 DPP4 (0.44) FAPPTPN1DPP4DPP8DPP9
SCHEMBL5208196 0.85 HDAC8 (0.50) FAPDPP4HDAC8
SCHEMBL7988406 0.83 DPP4 (0.48) FAPESR2PTPN1DPP4HDAC8
SCHEMBL7988401 0.83 DPP4 (0.48) FAPESR2PTPN1DPP4HDAC8
SCHEMBL864823 0.76 PTPN1 (0.54) ESR2PTPN1HDAC8
SCHEMBL30254985 0.76 PTPN1 (0.54) ESR2PTPN1HDAC8
SCHEMBL29502321 0.76 PTPN1 (0.54) ESR2PTPN1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100371323-C Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2008-02-27 CN disclosed
CN-1298703-C Cyanopyrrolidine Derivatives TAISHO PHARMACENTICAL CO LTD (JP) 2007-02-07 CN disclosed
CN-1772733-A Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2006-05-17 CN disclosed
CN-1715269-A Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2006-01-04 CN disclosed
CN-1474809-A Cyanopyrrolidine Derivatives ������ҩ��ʽ���� 2004-02-11 CN disclosed
EP-1333025-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2003-08-06 EP disclosed