SCHEMBL8614871

SCHEMBL8614871

CCC(C)CCOc1ccccc1-c1cc(NC(=N)NC=O)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.41
ACP1 P24666 1/20 0.40
TACR3 P29371 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GBA1 P04062 1/20 0.35
GLA P06280 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACKR3 P25106 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8614063 0.89 PDE10A (0.46) PDE10AMEN1KMT2AATMACP1
SCHEMBL8613965 0.88 PDE10A (0.46) PDE10AMEN1KMT2AATMACP1
SCHEMBL8614159 0.87 PDE10A (0.45) PDE10AMEN1KMT2AATMACP1
SCHEMBL8615054 0.87 PDE10A (0.55) PDE10AMEN1KMT2AATMACP1
SCHEMBL8620369 0.87 MEN1 (0.43) PDE10AMEN1KMT2AATMACP1
SCHEMBL8619516 0.86 PDE10A (0.44) PDE10AMEN1KMT2AATMACP1
SCHEMBL8620930 0.86 PDE10A (0.44) PDE10AMEN1KMT2AATMACP1
SCHEMBL8617530 0.85 ACP1 (0.43) PDE10AMEN1KMT2AATMACP1
SCHEMBL8619676 0.84 PDE10A (0.43) PDE10AMEN1KMT2AATMACP1
SCHEMBL8614870 0.84 ACP1 (0.41) PDE10AMEN1KMT2AATMACP1

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