SCHEMBL8618949

SCHEMBL8618949

CC(C)CCCc1ccc(-c2cc(NC(=N)NC=O)c3ccccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.48
ACP1 P24666 9/20 0.45
CACNA2D1 P54289 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL8617940 0.88 PLA2G2A (0.48) ACP1CACNA2D1PDE10A
SCHEMBL8616553 0.86 ACP1 (0.42) ACP1CACNA2D1
SCHEMBL8615126 0.85 DHODH (0.47) DHODHACP1CACNA2D1PDE10A
SCHEMBL8619736 0.85 DHODH (0.47) DHODHACP1CACNA2D1PDE10A
SCHEMBL8617753 0.83 ACP1 (0.51) ACP1PDE10A
SCHEMBL8615447 0.83 CACNA2D1 (0.38) ACP1CACNA2D1
SCHEMBL8614839 0.83 TACR3 (0.45) DHODHACP1CACNA2D1PDE10A
SCHEMBL8615355 0.82 PDE10A (0.55) ACP1PDE10A
SCHEMBL8619039 0.82 DHODH (0.46) DHODHACP1CACNA2D1
SCHEMBL8620932 0.81 POLB (0.51) DHODHACP1PDE10A

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