SCHEMBL8327808

SCHEMBL8327808

CNC(NCC(O)CNCc1ccc(F)cc1)C(C#N)C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
DNM1 Q05193 4/20 0.43
LMNA P02545 2/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CHRM2 P08172 1/20 0.34
DPP7 Q9UHL4 3/20 0.33

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
SCHEMBL8327803 0.72 NPC1 (0.45) NPC1DNM1LMNAKMT2AMEN1
SCHEMBL8622887 0.72 NPC1 (0.44) NPC1DNM1LMNAKMT2AMEN1
SCHEMBL2915394 0.69 DNM1 (0.55) NPC1DNM1LMNAKMT2AMEN1
SCHEMBL8326197 0.69 DNM1 (0.55) NPC1DNM1LMNAKMT2AMEN1
SCHEMBL8328840 0.67 CARM1 (0.42)
SCHEMBL8323561 0.66 CTSS (0.35) LMNAKMT2AMEN1L3MBTL1
SCHEMBL8326116 0.65 SLC6A4 (0.47)
SCHEMBL170986 0.65 LMNA (0.64) NPC1DNM1LMNAKMT2AMEN1
SCHEMBL6663240 0.65 LMNA (0.59) LMNAKMT2AMEN1L3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL4710846 0.64 LOXL2 (0.51) NPC1DNM1LMNAS1PR2S1PR4

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