SCHEMBL7490787

SCHEMBL7490787

CCOC(=O)/C(C#N)=C(/NC1CCCCC1)N(C)C1CN(Cc2ccc(F)cc2)CCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.41
CNR1 P21554 9/20 0.40
CNR2 P34972 9/20 0.40
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD4 P21917 1/20 0.38
FAAH O00519 6/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL8330679 0.89 GRIN2B (0.42) KMT2ADRD4MEN1LMNACYP1A2
SCHEMBL7494625 0.85 CCR3 (0.42) CCR3CNR1CNR2KMT2ANPC1
SCHEMBL7497394 0.85 DRD4 (0.42) KMT2ADRD4MEN1LMNACYP1A2
SCHEMBL7490791 0.81 KMT2A (0.48) CCR3CNR1CNR2KMT2ANPC1
SCHEMBL7499277 0.74 MEN1 (0.54) CCR3KMT2ADRD4MEN1LMNA
SCHEMBL7499283 0.74 MEN1 (0.54) CCR3KMT2ADRD4MEN1LMNA
SCHEMBL7495888 0.74 DRD4 (0.41) CCR3CNR2KMT2ADRD4MEN1
SCHEMBL12610669 0.72 NPC1 (0.53) CCR3CNR1CNR2KMT2ANPC1
SCHEMBL7496846 0.71 DRD4 (0.48) CNR2DRD4CYP1A2CYP3A4CYP2C9
SCHEMBL7494865 0.70 MEN1 (0.49) CCR3KMT2ADRD4MEN1LMNA

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 2 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-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed