SCHEMBL3634655

SCHEMBL3634655

O=C(OC(=O)C(F)(F)F)C1CCCN1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.38
NOS2 P35228 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
DPP4 P27487 6/20 0.36
DPP8 Q6V1X1 4/20 0.35
DPP9 Q86TI2 4/20 0.35
SCN4A P35499 1/20 0.35
FAP Q12884 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ELANE P08246 1/20 0.34
PRCP P42785 1/20 0.33
GLI1 P08151 1/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 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
SCHEMBL1681428 1.00 HTR2C (0.38) HTR2CNOS2NOS3NOS1DPP4
SCHEMBL20400914 0.91 NOS3 (0.31) NOS2NOS3NOS1
SCHEMBL6859669 0.82 NOS2 (0.46) NOS2NOS3NOS1DPP4DPP8
SCHEMBL146828 0.82 NOS2 (0.46) NOS2NOS3NOS1DPP4DPP8
SCHEMBL995604 0.82 NOS2 (0.46) NOS2NOS3NOS1DPP4DPP8
SCHEMBL10593841 0.79 DPP4 (0.36) NOS2NOS3NOS1DPP4DPP8
SCHEMBL9162842 0.79 DPP4 (0.36) HTR2CNOS2NOS3NOS1DPP4
SCHEMBL9737609 0.79 NOS2 (0.43) NOS2NOS3NOS1DPP4DPP8
SCHEMBL23630098 0.79 DPP4 (0.49) DPP4DPP8DPP9FAPDPP7
SCHEMBL31298402 0.77 NOS2 (0.42) NOS2NOS3NOS1DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146703-A1 SRC FAMILY KINASE INHIBITORS Leo Pharma A/S (DK) 2010-01-27 EP claimed
WO-2008128538-A1 SRC FAMILY KINASE INHIBITORS LEO PHARMA A/S (DK) 2008-10-30 WO claimed
CN-109678859-B Dihydropyrimidine compound and application thereof in medicine 广东东阳光药业有限公司 2020-12-29 CN disclosed
EP-3697792-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE Sunshine Lake Pharma Co., Ltd. (CN) 2020-08-26 EP disclosed
WO-2019076310-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-04-25 WO disclosed
EP-1379510-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2004-01-14 EP disclosed
EP-1358154-A2 PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES Abbott Laboratories (US) 2003-11-05 EP disclosed
EP-1315698-A1 PYRROLIDINES AS INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2003-06-04 EP disclosed
WO-2002070494-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2002-09-12 WO disclosed
WO-2001028996-A2 PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-26 WO disclosed
WO-1999054299-A1 PYRROLIDINES AS INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 1999-10-28 WO disclosed
CN-1217327-A D-proline derivative HOFFMANN LA ROCHE (CH) 1999-05-26 CN disclosed