SCHEMBL6981489

SCHEMBL6981489

CCC(=O)COc1cc2c(=O)c(Cc3cccnc3)cn3c4ccc(Br)cc4c(c1)c23

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRA5 P31644 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
TBXAS1 P24557 1/20 0.33
PTAFR P25105 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
RIPK1 Q13546 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL6975197 0.94 ALDH1A1 (0.36) FPR1FPR2ALDH1A1MAPTMEN1
SCHEMBL6983568 0.92 GABRA1 (0.37) FPR1FPR2ALDH1A1MAPTMEN1
SCHEMBL6980825 0.91 GABRA1 (0.35) FPR1FPR2ALDH1A1MAPTMEN1
SCHEMBL6983182 0.90 TSHR (0.41) FPR1FPR2ALDH1A1MAPTMEN1
SCHEMBL6983481 0.90 GABRA1 (0.38) FPR1FPR2ALDH1A1MAPTMEN1
SCHEMBL6980559 0.90 FPR1 (0.35) FPR1FPR2ALDH1A1MAPTMEN1
SCHEMBL6983005 0.90 CYP1A2 (0.43) FPR1FPR2ALDH1A1MEN1KMT2A
SCHEMBL6983106 0.89 TSHR (0.35) FPR1FPR2ALDH1A1MAPTMEN1
SCHEMBL6982874 0.88 MCL1 (0.36) FPR1FPR2ALDH1A1MAPTMEN1
SCHEMBL6978077 0.88 CYP1A2 (0.41) FPR1FPR2ALDH1A1KMT2AMAPK1

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