SCHEMBL7669113

SCHEMBL7669113

O=c1c(Cc2cccnc2)cn2c3c(cc(OCCCO)cc13)Oc1cc(Br)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.33
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
KCNA5 P22460 2/20 0.31
KCNJ5 P48544 2/20 0.31
KCNJ3 P48549 2/20 0.31
PLA2G7 Q13093 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C9 P11712 2/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL7668596 0.94 RIPK1 (0.35) RIPK1HTTRXFP1FPR1FPR2
SCHEMBL7666654 0.90 PKM (0.36) RIPK1HTTRXFP1FPR1FPR2
SCHEMBL7672547 0.87 LTA4H (0.45)
SCHEMBL7674840 0.84 KCNA5 (0.39) RIPK1FPR1FPR2KCNA5KCNJ5
SCHEMBL7674409 0.84 PLA2G7 (0.32) FPR1FPR2KCNA5KCNJ5KCNJ3
SCHEMBL7668727 0.84 KCNA5 (0.39) RIPK1FPR1FPR2KCNA5KCNJ5
SCHEMBL7665153 0.84 KCNA5 (0.35) FPR1FPR2KCNA5KCNJ5KCNJ3
SCHEMBL7673275 0.84 PKM (0.36) RIPK1HTTRXFP1FPR1FPR2
SCHEMBL7668944 0.83 KCNH2 (0.32) RIPK1FPR1FPR2KCNA5KCNJ5
SCHEMBL7669036 0.83 PTK2 (0.34) HTTRXFP1CYP1A2CYP3A4CYP2C9

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