SCHEMBL7673385

SCHEMBL7673385

O=c1c(Cc2ccccc2)cn2c3c(cc(OCCN4CCCCC4)cc13)Sc1ccc(Br)cc1-2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.42
HRH1 P35367 5/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
DRD3 P35462 2/20 0.41
DRD2 P14416 1/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
KCNH2 Q12809 2/20 0.39
MCHR1 Q99705 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 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
SCHEMBL7667052 0.91 LTA4H (0.45) LTA4HGAAKDM4EPOLBKCNH2
SCHEMBL7670710 0.90 KDM4E (0.35) LTA4HGAAKDM4EPOLBHRH3
SCHEMBL7670463 0.86 ALDH1A1 (0.32)
SCHEMBL7668910 0.85 MEN1 (0.42) LTA4HGAAKDM4EPOLBMEN1
SCHEMBL7664000 0.85 LTA4H (0.45) LTA4HHRH1DRD1DRD4DRD5
SCHEMBL8132685 0.83 LTA4H (0.39) LTA4HDRD1DRD4DRD5GAA
SCHEMBL7666688 0.83 P2RX7 (0.35) MEN1KMT2A
SCHEMBL7666718 0.80 SIGMAR1 (0.43) LTA4HGAAKDM4EPOLBKCNH2
SCHEMBL7674978 0.80 ALDH1A1 (0.35) DRD2MEN1KMT2A
SCHEMBL7669032 0.78 LRRK2 (0.35) POLBMEN1KMT2A

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