SCHEMBL7908779

SCHEMBL7908779

CSC(=O)OCN=C(C)NCCCC[C@H](N)C(=O)OO

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
NOS1 P29475 5/20 0.33
NOS3 P29474 4/20 0.33
NOS2 P35228 5/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.30

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
SCHEMBL7901839 0.86 DPP7 (0.36) DPP7GNAI3GNAO1GNAI1NOS1
SCHEMBL7909552 0.84 DPP7 (0.35) DPP7GNAI3GNAO1GNAI1NOS1
SCHEMBL7901702 0.82 DPP7 (0.41) DPP7GNAI3GNAO1GNAI1NOS1
SCHEMBL7915415 0.78 DPP8 (0.37) DPP7
SCHEMBL7908773 0.78 FOLH1 (0.40)
SCHEMBL7911960 0.73 DPP7 (0.42) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL7232942 0.71 NOS2 (0.46) NOS1NOS3NOS2CYP2C19THPO
SCHEMBL7908719 0.71 NOS2 (0.46) NOS1NOS3NOS2CYP2C19THPO
SCHEMBL8193777 0.70 DPP7 (0.43) DPP7GNAI3GNAO1GNAI1CYP2C19
SCHEMBL6917505 0.68 DPP7 (0.40) DPP7GNAI3GNAO1GNAI1CA12

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
US-6207708-B1 FOR THERAPY AND PROPHYLAXIS OF AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS AFFECTING THE JOINTS SUCH AS ARTHRITIS, AND INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, G. D. SEARLE & COMPANY 2001-03-27 US disclosed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP disclosed