SCHEMBL7671373

SCHEMBL7671373

O=c1c(Cc2cccnc2)cn2c3cc(Br)ccc3c(=NO)c3cc(OCCCO)cc1c32

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
TBXAS1 P24557 1/20 0.31
PTAFR P25105 1/20 0.31
PLA2G7 Q13093 1/20 0.30
GRM4 Q14833 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL7671370 1.00 GABRA1 (0.34) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL7662032 0.94 GABRA1 (0.34) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL7662030 0.94 GABRA1 (0.34) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL7668963 0.92 GABRA1 (0.36) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL1961296 0.92 GABRA1 (0.36) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL7666407 0.91 GABRA1 (0.35) GABRA1GABRA5FPR1FPR2MEN1
SCHEMBL7666416 0.91 GABRA1 (0.35) GABRA1GABRA5FPR1FPR2MEN1
Hydrochloric Acid SCHEMBL6977314 0.91 GABRA1 (0.36) GABRA1GABRA5FPR1FPR2TBXAS1
Sulfuric Acid SCHEMBL6983443 0.89 GABRA1 (0.35) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL7672601 0.88 LTA4H (0.44) MEN1KMT2A

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