SCHEMBL6981580

SCHEMBL6981580

O=c1c(Cc2cccnc2)cn2c3ccc(Br)cc3c3cc(OCc4cncc(CO)c4)cc1c32

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRA5 P31644 2/20 0.35
HSD17B10 Q99714 1/20 0.34
ACHE P22303 2/20 0.33
MAOB P27338 2/20 0.33
PKM P14618 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LRRK2 Q5S007 2/20 0.32
TBXAS1 P24557 1/20 0.32
PTAFR P25105 1/20 0.32
BCHE P06276 1/20 0.32
MAOA P21397 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
SCHEMBL7976574 0.93 GABRA1 (0.35) GABRA1GABRA5HSD17B10ACHEMAOB
SCHEMBL6979179 0.92 GABRA1 (0.39) GABRA1GABRA5PKMMEN1KMT2A
SCHEMBL6982487 0.91 LRRK2 (0.38) GABRA1GABRA5ACHEMAOBPKM
SCHEMBL6981582 0.91 FPR1 (0.34) GABRA1GABRA5MAOBPKMMEN1
SCHEMBL7673377 0.89 GABRA1 (0.39) GABRA1GABRA5PKMMEN1KMT2A
SCHEMBL6978829 0.87 GABRA1 (0.36) GABRA1GABRA5PKMMEN1KMT2A
SCHEMBL6983568 0.86 GABRA1 (0.37) GABRA1GABRA5PKMMEN1KMT2A
SCHEMBL6983481 0.86 GABRA1 (0.38) GABRA1GABRA5PKMMEN1KMT2A
SCHEMBL6977199 0.85 GABRA1 (0.39) GABRA1GABRA5ACHEMAOBPKM
SCHEMBL7669409 0.85 GABRA1 (0.35) GABRA1GABRA5HSD17B10PKMMEN1

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 4 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-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