SCHEMBL8613381

SCHEMBL8613381

N=C(NC=O)Nc1cc(-c2ccccc2OC(F)(F)F)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 6/20 0.46
IGF1R P08069 5/20 0.41
C1R P00736 1/20 0.39
PDE10A Q9Y233 2/20 0.39
ABL1 P00519 3/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL8614048 0.87 ACP1 (0.42) ACP1PDE10A
SCHEMBL8617748 0.86 ACP1 (0.52) ACP1IGF1R
SCHEMBL8620622 0.84 ACP1 (0.56) ACP1IGF1RC1RPDE10A
SCHEMBL8614757 0.84 PDE10A (0.44) ACP1PDE10A
SCHEMBL8615054 0.84 PDE10A (0.55) ACP1PDE10A
SCHEMBL8616674 0.84 ACP1 (0.54) ACP1IGF1R
SCHEMBL8618733 0.84 LMNA (0.45) ACP1PDE10AABL1
SCHEMBL8616443 0.83 ACP1 (0.41) ACP1PDE10A
SCHEMBL8617796 0.82 ACP1 (0.51) ACP1IGF1R
SCHEMBL8614063 0.82 PDE10A (0.46) ACP1PDE10AABL1

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-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed