SCHEMBL6981582

SCHEMBL6981582

CC(=O)OCc1cncc(COc2cc3c(=O)c(Cc4cccnc4)cn4c5ccc(Br)cc5c(c2)c34)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRA5 P31644 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
LRRK2 Q5S007 2/20 0.32
MAOB P27338 2/20 0.32
RIPK1 Q13546 1/20 0.32
TBXAS1 P24557 1/20 0.32
PTAFR P25105 1/20 0.32
PKM P14618 2/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX5 P09917 1/20 0.32
ALOX5AP P20292 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL6978286 0.94 FPR1 (0.34) FPR1FPR2GABRA1GABRA5ALDH1A1
SCHEMBL6981580 0.91 GABRA1 (0.35) FPR1FPR2GABRA1GABRA5ALDH1A1
SCHEMBL6979179 0.90 GABRA1 (0.39) FPR1FPR2GABRA1GABRA5ALDH1A1
SCHEMBL6968626 0.88 FPR1 (0.39) FPR1FPR2GABRA1GABRA5ALDH1A1
SCHEMBL6982487 0.88 LRRK2 (0.38) GABRA1GABRA5ALDH1A1MAPTMEN1
SCHEMBL7673377 0.86 GABRA1 (0.39) FPR1FPR2GABRA1GABRA5ALDH1A1
SCHEMBL6983568 0.85 GABRA1 (0.37) FPR1FPR2GABRA1GABRA5ALDH1A1
SCHEMBL6983481 0.85 GABRA1 (0.38) FPR1FPR2GABRA1GABRA5ALDH1A1
SCHEMBL6983182 0.84 TSHR (0.41) FPR1FPR2GABRA1GABRA5ALDH1A1
SCHEMBL7976574 0.84 GABRA1 (0.35) FPR1FPR2GABRA1GABRA5ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed