SCHEMBL8614839

SCHEMBL8614839

CCCCC(C)c1ccc(-c2cc(NC(=N)NC=O)c3ccccc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 3/20 0.45
DHODH Q02127 2/20 0.45
CACNA2D1 P54289 1/20 0.44
MOK Q9UQ07 2/20 0.41
ACP1 P24666 1/20 0.41
PLA2G2A P14555 1/20 0.40
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL8616705 0.86 ACP1 (0.44) TACR3DHODHCACNA2D1MOKACP1
SCHEMBL8618949 0.83 DHODH (0.48) DHODHCACNA2D1ACP1PDE10A
SCHEMBL8615872 0.83 TACR3 (0.38) TACR3DHODHCACNA2D1MOKACP1
SCHEMBL8617753 0.82 ACP1 (0.51) ACP1PDE10AKDM4ESMN1; SMN2
SCHEMBL8619736 0.81 DHODH (0.47) DHODHCACNA2D1MOKACP1PDE10A
SCHEMBL8615355 0.81 PDE10A (0.55) MOKACP1PDE10AKDM4EALDH1A1
SCHEMBL8617940 0.81 PLA2G2A (0.48) CACNA2D1ACP1PLA2G2APDE10AKDM4E
SCHEMBL8615126 0.80 DHODH (0.47) DHODHCACNA2D1MOKACP1PDE10A
SCHEMBL8619756 0.80 PLA2G2A (0.54) DHODHACP1PLA2G2APDE10AKDM4E
SCHEMBL8620932 0.80 POLB (0.51) TACR3DHODHMOKACP1PDE10A

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