SCHEMBL7672522

SCHEMBL7672522

O=c1c(Cc2cccnc2)cn2c3c(cc(OCCCO)cc13)C(O)c1ccc(Br)cc1-2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.33
KCNH2 Q12809 1/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
CHRNA7 P36544 1/20 0.32
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
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 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
SCHEMBL7668944 0.94 KCNH2 (0.32) RIPK1KCNH2FPR1FPR2CHRNA7
SCHEMBL7672515 0.91 ALDH1A1 (0.35) RIPK1KCNH2FPR1FPR2PKM
SCHEMBL7661805 0.88 LTA4H (0.45) RIPK1KCNH2MEN1KMT2A
SCHEMBL7664817 0.85 PKM (0.35) RIPK1KCNH2FPR1FPR2CYP1A2
SCHEMBL7668727 0.84 KCNA5 (0.39) RIPK1FPR1FPR2CYP1A2CYP3A4
SCHEMBL7670903 0.84 FPR1 (0.32) RIPK1FPR1FPR2CHRNA7PLA2G7
SCHEMBL7668596 0.84 RIPK1 (0.35) RIPK1FPR1FPR2CHRNA7PLA2G7
SCHEMBL7669021 0.84 KCNA5 (0.33) RIPK1FPR1FPR2CHRNA7PLA2G7
SCHEMBL7674840 0.84 KCNA5 (0.39) RIPK1FPR1FPR2CYP1A2CYP3A4
SCHEMBL7668560 0.83 PTK2 (0.33) KCNH2FPR1FPR2CYP1A2CYP3A4

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