SCHEMBL7501984

SCHEMBL7501984

CNC(NCC1CN(Cc2ccc(C(F)(F)F)cc2)CCO1)=C(C#N)C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.49
MCHR1 Q99705 1/20 0.44
DRD3 P35462 4/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CCR3 P51677 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
SCHEMBL7488935 0.89 DRD3 (0.51) DRD4DRD3MEN1LMNACYP1A2
SCHEMBL7498333 0.88 DRD4 (0.53) DRD4CYP1A2CYP3A4CYP2C9DRD2
SCHEMBL7495142 0.87 ALDH1A1 (0.41) DRD4DRD3MEN1LMNACYP1A2
SCHEMBL7497766 0.87 DRD4 (0.51) DRD4DRD3CYP1A2CYP3A4CYP2C9
SCHEMBL7502760 0.85 CCR3 (0.55) DRD4DRD3MEN1LMNACYP1A2
SCHEMBL7498674 0.85 DRD4 (0.56) DRD4DRD3MEN1LMNACYP1A2
SCHEMBL7497792 0.85 DRD4 (0.45) DRD4DRD3CYP1A2CYP3A4CYP2C9
SCHEMBL8330451 0.82 ALDH1A1 (0.49) MCHR1MEN1LMNAKMT2AKCNH2
SCHEMBL8325700 0.81 DRD4 (0.55) DRD4MCHR1DRD3MEN1LMNA
SCHEMBL7495895 0.79 DRD4 (0.49) DRD4DRD3MEN1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760362-B1 DIAMINOMETHYLIDENE DERIVATIVE NISSHIN SEIFUN GROUP INC (JP) 2002-08-14 EP disclosed
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5753654-A GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-19 US disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed