SCHEMBL7665153

SCHEMBL7665153

O=c1c(Cc2cccnc2)cn2c3c(cc(OCCCO)cc13)Nc1cc(Br)ccc1-2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.35
KCNJ5 P48544 9/20 0.35
KCNJ3 P48549 9/20 0.35
PLA2G7 Q13093 1/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SERPINE1 P05121 3/20 0.32
CHRNA7 P36544 1/20 0.32
TBXAS1 P24557 1/20 0.31
PTAFR P25105 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL7669021 0.94 KCNA5 (0.33) KCNA5KCNJ5KCNJ3PLA2G7FPR1
SCHEMBL7668181 0.90 PKM (0.36) KCNA5KCNJ5KCNJ3FPR1FPR2
SCHEMBL7663981 0.87 LTA4H (0.45) KCNA5KCNJ5KCNJ3
SCHEMBL7669113 0.84 RIPK1 (0.33) KCNA5KCNJ5KCNJ3PLA2G7FPR1
SCHEMBL7668727 0.84 KCNA5 (0.39) KCNA5KCNJ5KCNJ3FPR1FPR2
SCHEMBL7674409 0.84 PLA2G7 (0.32) KCNA5KCNJ5KCNJ3PLA2G7FPR1
SCHEMBL7674840 0.84 KCNA5 (0.39) KCNA5KCNJ5KCNJ3FPR1FPR2
SCHEMBL7672566 0.84 BRD4 (0.37) FPR1FPR2MEN1CYP1A2CYP3A4
SCHEMBL7668944 0.83 KCNH2 (0.32) KCNA5KCNJ5KCNJ3PLA2G7FPR1
SCHEMBL7672401 0.83 MEN1 (0.31) MEN1CYP1A2CYP3A4CYP2D6CYP2C9

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