SCHEMBL7669084

SCHEMBL7669084

CN1c2cc(Br)ccc2-n2cc(Cc3cccnc3)c(=O)c3cc(OCCN4CCCCC4)cc1c32

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.46
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KCNA5 P22460 3/20 0.35
KCNJ5 P48544 3/20 0.35
KCNJ3 P48549 3/20 0.35
KCNH2 Q12809 2/20 0.35
MCHR1 Q99705 2/20 0.35
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
RIPK1 Q13546 1/20 0.34
MAPK14 Q16539 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL7668613 0.97 LTA4H (0.46) LTA4HCHRNB2CHRNA4PDE4DKDM4E
SCHEMBL7661834 0.91 LTA4H (0.43) LTA4HCHRNB2CHRNA4PDE4DKDM4E
SCHEMBL7672387 0.89 LTA4H (0.43) LTA4HCHRNB2CHRNA4PDE4DKDM4E
SCHEMBL7674840 0.88 KCNA5 (0.39) KCNA5KCNJ5KCNJ3RIPK1ALDH1A1
SCHEMBL7668793 0.88 HIF1A (0.39) KCNA5KCNJ5KCNJ3RIPK1ALDH1A1
SCHEMBL7672547 0.86 LTA4H (0.45) LTA4HCHRNB2CHRNA4PDE4DKDM4E
SCHEMBL7667052 0.86 LTA4H (0.45) LTA4HCHRNB2CHRNA4PDE4DKDM4E
SCHEMBL7664000 0.86 LTA4H (0.45) LTA4HCHRNB2CHRNA4PDE4DKDM4E
SCHEMBL7668136 0.86 LTA4H (0.45) LTA4HCHRNB2CHRNA4PDE4DKDM4E
SCHEMBL7663981 0.86 LTA4H (0.45) LTA4HCHRNB2CHRNA4PDE4DKDM4E

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