SCHEMBL7499283

SCHEMBL7499283

CCOC(=O)C(C#N)=C(NC)NCC1CN(Cc2ccc(F)cc2)CCO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP2C9 P11712 1/20 0.54
ADRA2B P18089 1/20 0.54
HTR2C P28335 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 1/20 0.54
DRD3 P35462 1/20 0.54
HTR2B P41595 1/20 0.54
KMT2A Q03164 1/20 0.54
KCNH2 Q12809 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
DRD4 P21917 11/20 0.49
GRIN2B Q13224 5/20 0.42
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
SCHEMBL7499277 1.00 MEN1 (0.54) MEN1LMNACYP1A2CYP3A4HTR1A
SCHEMBL7490791 0.90 KMT2A (0.48) MEN1LMNACYP1A2CYP3A4HTR1A
SCHEMBL7494865 0.90 MEN1 (0.49) MEN1LMNACYP1A2CYP3A4HTR1A
SCHEMBL7494860 0.90 MEN1 (0.49) MEN1LMNACYP1A2CYP3A4HTR1A
SCHEMBL7497398 0.90 DRD3 (0.49) MEN1LMNACYP1A2CYP3A4HTR1A
SCHEMBL7497553 0.90 MEN1 (0.49) MEN1LMNACYP1A2CYP3A4HTR1A
SCHEMBL7497556 0.90 MEN1 (0.49) MEN1LMNACYP1A2CYP3A4HTR1A
SCHEMBL7492746 0.88 DRD4 (0.51) MEN1LMNACYP1A2CYP3A4HTR1A
SCHEMBL7492750 0.88 DRD4 (0.51) MEN1LMNACYP1A2CYP3A4HTR1A
SCHEMBL7488935 0.84 DRD3 (0.51) MEN1LMNACYP1A2CYP3A4HTR1A

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