SCHEMBL7668136

SCHEMBL7668136

O=c1c(Cc2cccnc2)cn2c3c(cc(OCCN4CCCCC4)cc13)Oc1ccc(Br)cc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.45
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
SIGMAR1 Q99720 4/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PDE4D Q08499 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
RIPK1 Q13546 1/20 0.35
PIM1 P11309 1/20 0.34
KDR P35968 2/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
LCK P06239 1/20 0.33
JAK3 P52333 1/20 0.33
TNK2 Q07912 1/20 0.33
INPPL1 O15357 1/20 0.33
MET P08581 1/20 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
SCHEMBL7672547 0.94 LTA4H (0.45) LTA4HCHRNB2CHRNA4SIGMAR1KDM4E
SCHEMBL7668596 0.87 RIPK1 (0.35) RIPK1
SCHEMBL7673275 0.87 PKM (0.36) RIPK1MAOB
SCHEMBL7669084 0.86 LTA4H (0.46) LTA4HCHRNB2CHRNA4SIGMAR1KDM4E
SCHEMBL7668613 0.86 LTA4H (0.46) LTA4HCHRNB2CHRNA4SIGMAR1KDM4E
SCHEMBL7667052 0.85 LTA4H (0.45) LTA4HCHRNB2CHRNA4SIGMAR1KDM4E
SCHEMBL7667087 0.85 LTA4H (0.45) LTA4HCHRNB2CHRNA4SIGMAR1KDM4E
SCHEMBL7661805 0.85 LTA4H (0.45) LTA4HCHRNB2CHRNA4SIGMAR1KDM4E
SCHEMBL7670688 0.84 RIPK1 (0.38) GAARIPK1
SCHEMBL7664000 0.84 LTA4H (0.45) LTA4HCHRNB2CHRNA4SIGMAR1KDM4E

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
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed