SCHEMBL8327684

SCHEMBL8327684

Cn1c(NCC2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)c(C#N)c(=N)n(C)c1=S

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 8/20 0.43
DRD4 P21917 1/20 0.41
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 1/20 0.37
PDE2A O00408 1/20 0.37
ROCK2 O75116 2/20 0.36
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KMT2A Q03164 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 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
SCHEMBL8321744 0.91 LTA4H (0.44) DRD4POLBLTA4HMAOAMAOB
SCHEMBL8328418 0.88 POLB (0.44) CCR3POLBLTA4HMAOAMAOB
SCHEMBL8328227 0.87 KMT2A (0.48) POLBLTA4HMAOAMAOBKMT2A
SCHEMBL8330578 0.86 CYP1A2 (0.36) POLBLTA4HROCK2MAOAMAOB
SCHEMBL8329441 0.86 ALDH1A1 (0.49) POLBPDE2AMAOAMAOBKMT2A
SCHEMBL8328811 0.86 ALDH1A1 (0.39) POLBLTA4HPDE2AMAOAMAOB
SCHEMBL8321787 0.84 KMT2A (0.46) POLBLTA4HMAOBKMT2AMEN1
SCHEMBL8327166 0.84 DRD4 (0.47) CCR3DRD4
SCHEMBL8327681 0.81 DRD4 (0.41) DRD4POLBSMN1; SMN2PDE2AROCK2
SCHEMBL8328374 0.78 ACHE (0.42) KMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981130-A Positively-chargeable charge control agent and toner for developing electrostatic images ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-09 US disclosed
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
EP-0881545-A1 Positively-chargeable charge control agent and toner for developing electrostatic images ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-02 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed