SCHEMBL5810771

SCHEMBL5810771

CCOC(=O)Cc1c(F)c(NCCC2CCCCN2C(=O)OC(C)(C)C)nc(F)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
ATM Q13315 2/20 0.35
CHEK2 O96017 1/20 0.34
AHCY P23526 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLAT P00750 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE7B Q9NP56 1/20 0.33
PRMT5 O14744 1/20 0.33
KDM1A O60341 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
METTL3 Q86U44 1/20 0.32
APP P05067 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
SCHEMBL5802463 0.86 GRM5 (0.37) TRPV1ATMCHEK2AHCYF2
SCHEMBL5773134 0.76 ATM (0.39) PDE8BTRPV1ATMCHEK2MEN1
SCHEMBL5771502 0.74 ALOX5AP (0.38) PDE8BTRPV1ATMCHEK2PDE7B
SCHEMBL5481717 0.74 ATM (0.39) PDE8BTRPV1ATMCHEK2F2
SCHEMBL5479621 0.72 ATM (0.39) PDE8BTRPV1ATMCHEK2F2
SCHEMBL24739379 0.71 ATM (0.48) PDE8BATMCHEK2MEN1KMT2A
SCHEMBL29551182 0.71 ATM (0.48) PDE8BATMCHEK2MEN1KMT2A
SCHEMBL5801498 0.71 TRPV1 (0.41) TRPV1ATMCHEK2PDE7BPRMT5
SCHEMBL5769599 0.70 ATM (0.38) PDE8BTRPV1ATMCHEK2MEN1
SCHEMBL8262110 0.70 TRPV1 (0.40) TRPV1ATMCHEK2PDE7BPRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655296-A1 Thrombin inhibitors Graffinity Pharmaceuticals AG (DE) 2006-05-10 EP disclosed
WO-2006045459-A1 THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2006-05-04 WO disclosed
WO-2006045459-A1 THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2006-05-04 WO disclosed