SCHEMBL7873502

SCHEMBL7873502

O=C(O)[C@H]1C[C@H](C2CCCCC2)CN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GRIK1 P39086 4/20 0.43
GRIA1 P42261 3/20 0.43
GRIA2 P42262 3/20 0.43
GRIA3 P42263 3/20 0.43
GRIA4 P48058 3/20 0.43
GRIK2 Q13002 1/20 0.43
GRIK3 Q13003 1/20 0.43
GRIK4 Q16099 1/20 0.43

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
SCHEMBL2238814 1.00 DPP4 (0.50) DPP4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL7876588 1.00 DPP4 (0.50) DPP4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL197230 1.00 DPP4 (0.50) DPP4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL197231 1.00 DPP4 (0.50) DPP4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL7876596 1.00 DPP4 (0.50) DPP4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL29035113 1.00 DPP4 (0.50) DPP4CYP1A2CYP2D6ALOX15CYP2C19
Hydrochloric Acid SCHEMBL3418559 0.98 DPP4 (0.49) DPP4CYP1A2CYP2D6ALOX15CYP2C19
Hydrochloric Acid SCHEMBL7383848 0.98 DPP4 (0.49) DPP4CYP1A2CYP2D6ALOX15CYP2C19
Hydrochloric Acid SCHEMBL18103704 0.98 DPP4 (0.49) DPP4CYP1A2CYP2D6ALOX15CYP2C19
Hydrochloric Acid SCHEMBL3418556 0.98 DPP4 (0.49) DPP4CYP1A2CYP2D6ALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110885358-A Vaccine for preventing tumor recurrence and metastasis and application method thereof 浙江爱睦世医学科技有限公司 2020-03-17 CN claimed
CN-110885358-A Vaccine for preventing tumor recurrence and metastasis and application method thereof 浙江爱睦世医学科技有限公司 2020-03-17 CN disclosed
CN-101462996-B Preparation of 4-cyclohexyl proline derivative SHANGHAI INST PHARM INDUSTRY 2011-04-20 CN disclosed
CN-101462996-A Preparation of 4-cyclohexyl proline derivative SHANGHAI INST PHARM INDUSTRY (CN) 2009-06-24 CN disclosed
US-6329502-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS; TREATMENT OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) JAPAN ENERGY CORPORATION (JP) 2001-12-11 US disclosed
US-6313094-B1 COMPOSITION FOR INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION JAPAN ENERGY CORPORATION (JP) 2001-11-06 US disclosed
EP-0490667-B1 HIV protease inhibitors JAPAN ENERGY CORP (JP) 1999-06-09 EP disclosed
EP-0379063-B1 Process for preparing (trans)-4-substituted-DL-proline derivatives SQUIBB & SONS INC (US) 1997-12-10 EP disclosed
EP-0490667-A2 HIV protease inhibitors JAPAN ENERGY CORPORATION (JP) 1992-06-17 EP disclosed
EP-0379063-A2 Process for preparing (trans)-4-substituted-DL-proline derivatives E.R. SQUIBB & SONS, INC. (US) 1990-07-25 EP disclosed
US-4937355-A CYCLIZING PROTECTED AMINO ESTER WITH POTASSIUM AMIDE BASE, HYDROLYZING, REMOVING PROTECTIVE GROUP E. R. SQUIBB & SONS, INC. (US) 1990-06-26 US disclosed