SCHEMBL5801918

SCHEMBL5801918

NCCNC(=O)c1cccc(C(=O)CNCCOC(=O)N(c2ccccc2-c2ccccc2)N2CC[CH]CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.34
NQO2 P16083 1/20 0.31
PIM1 P11309 1/20 0.31
LMNA P02545 1/20 0.31
HTR7 P34969 1/20 0.31
NTRK1 P04629 1/20 0.30
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
CHEK1 O14757 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
SCHEMBL5272930 0.87 SPHK2 (0.34) LMNACD274
SCHEMBL5803928 0.87 MAOB (0.35) NTRK1CD274
SCHEMBL5276249 0.87 SMYD2 (0.33) LMNAHTR7CD274CHEK1
SCHEMBL5281205 0.85 ACKR3 (0.32) CHEK1
SCHEMBL5278178 0.85 ALDH1A1 (0.35)
SCHEMBL5810881 0.82 SMN1; SMN2 (0.37) LMNAHTR7CHEK1
SCHEMBL4695511 0.81 PDCD1 (0.34) CD274
SCHEMBL5277443 0.80 SMN1; SMN2 (0.34) HTR7CD274
SCHEMBL5722183 0.78 HPGD (0.40) LMNACD274
SCHEMBL4696348 0.77 PDCD1 (0.38) HTR7CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006098997-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO disclosed