SCHEMBL6978286

SCHEMBL6978286

CC(=O)OCc1cncc(COc2cc3c(=O)c(Cc4cccnc4)cn4c5cc(Br)ccc5c(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
LRRK2 Q5S007 2/20 0.32
MAOB P27338 4/20 0.32
RIPK1 Q13546 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ACACB O00763 1/20 0.32
GAA P10253 1/20 0.31
ADAM17 P78536 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 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
SCHEMBL6981582 0.94 FPR1 (0.34) FPR1FPR2GABRA1GABRA5LRRK2
SCHEMBL7976574 0.91 GABRA1 (0.35) FPR1FPR2GABRA1GABRA5LRRK2
SCHEMBL6977199 0.90 GABRA1 (0.39) FPR1FPR2GABRA1GABRA5LRRK2
SCHEMBL6981594 0.87 GABRA1 (0.37) FPR1FPR2GABRA1GABRA5LRRK2
SCHEMBL7673131 0.86 GABRA1 (0.39) FPR1FPR2GABRA1GABRA5LRRK2
SCHEMBL6974311 0.85 GABRA1 (0.37) FPR1FPR2GABRA1GABRA5LRRK2
SCHEMBL6981580 0.84 GABRA1 (0.35) FPR1FPR2GABRA1GABRA5LRRK2
SCHEMBL6980050 0.83 GABRA1 (0.39) FPR1FPR2GABRA1GABRA5ALDH1A1
SCHEMBL1961296 0.83 GABRA1 (0.36) FPR1FPR2GABRA1GABRA5ALDH1A1
SCHEMBL6979179 0.83 GABRA1 (0.39) FPR1FPR2GABRA1GABRA5LRRK2

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