SCHEMBL7475225

SCHEMBL7475225

N=C(N)c1cccc(OCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 1.00
PRSS1 P07477 8/20 1.00
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
NPY4R P50391 1/20 0.49

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
SCHEMBL7471700 0.99 F10 (1.00) F10PRSS1ALDH1A1LMNAMAPT
SCHEMBL7475473 0.98 F10 (1.00) F10PRSS1ALDH1A1LMNAMAPT
SCHEMBL7476367 0.91 F10 (0.83) F10PRSS1ALDH1A1LMNAMAPT
SCHEMBL7479884 0.91 F10 (1.00) F10PRSS1ALDH1A1LMNAMAPT
SCHEMBL7484452 0.90 F10 (1.00) F10PRSS1ALDH1A1LMNAMAPT
SCHEMBL7477445 0.83 F10 (0.71) F10PRSS1LMNAMAPTHTT
SCHEMBL7477366 0.83 F10 (0.78) F10PRSS1
SCHEMBL7482442 0.83 F10 (1.00) F10PRSS1ALDH1A1LMNAMAPT
SCHEMBL7479235 0.83 F10 (0.70) F10PRSS1ALDH1A1LMNAMAPT
SCHEMBL7478383 0.82 F10 (0.76) F10PRSS1

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
EP-1183235-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-06 EP disclosed
WO-2000071510-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed