SCHEMBL5773134

SCHEMBL5773134

CCOC(=O)Cc1nc(NCCC2CCCCN2C(=O)OC(C)(C)C)ncc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.39
CHEK2 O96017 1/20 0.39
GRM5 P41594 2/20 0.36
MERTK Q12866 3/20 0.36
PRMT5 O14744 1/20 0.36
PDE8B O95263 1/20 0.36
PDE7B Q9NP56 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM1A O60341 1/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
GAS6 Q14393 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8515983 0.86 CHEK2 (0.40) ATMCHEK2PRMT5PDE8BPDE7B
SCHEMBL5769599 0.86 ATM (0.38) ATMCHEK2GRM5PRMT5PDE8B
SCHEMBL5769284 0.83 CHEK2 (0.40) ATMCHEK2PRMT5PDE8BPDE7B
SCHEMBL5802463 0.82 GRM5 (0.37) ATMCHEK2GRM5PRMT5PDE7B
SCHEMBL5769605 0.78 TRPV1 (0.37) ATMCHEK2PRMT5PDE8BPDE7B
SCHEMBL5810771 0.76 PDE8B (0.35) ATMCHEK2PRMT5PDE8BPDE7B
SCHEMBL5774380 0.75 ALDH1A1 (0.39) CHEK2GRM5PRMT5PDE7BTRPV1
SCHEMBL5479621 0.74 ATM (0.39) ATMCHEK2PRMT5PDE8BTRPV1
SCHEMBL5481717 0.73 ATM (0.39) ATMCHEK2PRMT5PDE8BTRPV1
SCHEMBL24739379 0.72 ATM (0.48) ATMCHEK2PDE8BMEN1KMT2A

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
WO-2006066899-A1 NOVEL THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2006-06-29 WO disclosed
EP-1674464-A1 Novel thrombin inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-06-28 EP disclosed
EP-1674464-A1 Novel thrombin inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-06-28 EP disclosed