SCHEMBL8329914

SCHEMBL8329914

CNC(C(C#N)C#N)N(CCCN(CCOC)Cc1ccc(F)cc1)CCOC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HCRTR2 O43614 2/20 0.33
CA2 P00918 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL8331126 0.81 MCHR1 (0.38) MCHR1MEN1KMT2AHCRTR2
SCHEMBL8329918 0.73 MCHR1 (0.37) MCHR1MEN1KMT2AHCRTR2BCHE
SCHEMBL8328677 0.71 MEN1 (0.43) MCHR1MEN1KMT2A
SCHEMBL8327446 0.71 MEN1 (0.43) MCHR1MEN1KMT2ACA2
SCHEMBL8327315 0.70 DRD2 (0.41) MCHR1MEN1KMT2A
SCHEMBL8331123 0.70 ALDH1A1 (0.40) MCHR1MEN1KMT2AHCRTR2
SCHEMBL8620132 0.70 MCHR1 (0.36) MCHR1MEN1KMT2ABCHE
SCHEMBL14376647 0.68 MCHR1 (0.46) MCHR1MEN1KMT2A
SCHEMBL8326756 0.62 MAOB (0.59) BCHE
SCHEMBL8292591 0.61 BCHE (0.54) BCHE

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-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP 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