SCHEMBL8620622

SCHEMBL8620622

N=C(NC=O)Nc1cc(-c2ccccc2C(F)(F)F)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 7/20 0.56
PDE10A Q9Y233 1/20 0.49
TRPV1 Q8NER1 1/20 0.41
KMO O15229 2/20 0.40
C1R P00736 1/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C19 P33261 2/20 0.40
RECQL P46063 1/20 0.40
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
DHODH Q02127 1/20 0.38
IGF1R P08069 1/20 0.38
CLK4 Q9HAZ1 2/20 0.37
CYP2C9 P11712 1/20 0.37
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37

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
SCHEMBL8616368 0.85 ACP1 (0.41) ACP1PDE10AMEN1KMT2AKDM4E
SCHEMBL8613381 0.84 ACP1 (0.46) ACP1PDE10AC1RIGF1R
SCHEMBL8613901 0.84 ACP1 (0.51) ACP1CYP1A2CYP2C19RECQLCYP3A4
SCHEMBL8616415 0.84 ACP1 (0.42) ACP1PDE10ACYP1A2CYP2C19CYP3A4
SCHEMBL8620892 0.83 HTT (0.47) ACP1CYP1A2CYP2C19CYP3A4MEN1
SCHEMBL8617806 0.83 ACP1 (0.39) ACP1PDE10AMEN1KMT2A
SCHEMBL8618214 0.83 ACP1 (0.53) ACP1PDE10ATRPV1
SCHEMBL8616287 0.81 PDE10A (0.49) ACP1PDE10ATRPV1MEN1KMT2A
SCHEMBL8617753 0.81 ACP1 (0.51) ACP1PDE10ACYP3A4MEN1KMT2A
SCHEMBL8617537 0.81 ACP1 (0.54) ACP1PDE10ATRPV1KMODHODH

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