SCHEMBL7670710

SCHEMBL7670710

O=c1c(Cc2cncnc2)cn2c3c(cc(OCCN4CCCCC4)cc13)Sc1ccc(Br)cc1-2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
LTA4H P09960 4/20 0.34
PTGS2 P35354 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
HPGD P15428 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
PSMB2 P49721 1/20 0.33
ACHE P22303 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL7667052 0.92 LTA4H (0.45) KDM4EPOLBGAALTA4HSIGMAR1
SCHEMBL7673385 0.90 LTA4H (0.42) KDM4EPOLBGAALTA4HHRH3
SCHEMBL7664000 0.86 LTA4H (0.45) KDM4EPOLBGAALTA4HPTGS2
SCHEMBL8132685 0.84 LTA4H (0.39) GAALTA4HHPGDBCHE
SCHEMBL7669105 0.84 PTGDR2 (0.31)
SCHEMBL7668910 0.83 MEN1 (0.42) KDM4EPOLBGAALTA4HPTGS2
SCHEMBL7668342 0.82 PKM (0.34)
SCHEMBL7669192 0.79 PTGDR2 (0.32)
SCHEMBL7666718 0.78 SIGMAR1 (0.43) KDM4EPOLBGAALTA4HPTGS2
SCHEMBL7670903 0.78 FPR1 (0.32)

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