SCHEMBL6975197

SCHEMBL6975197

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
GABRA1 P14867 3/20 0.35
GABRA5 P31644 2/20 0.35
HTT P42858 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
GABRB2 P47870 1/20 0.33
TBXAS1 P24557 1/20 0.33
PTAFR P25105 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL6981489 0.94 FPR1 (0.36) ALDH1A1MAPTKDM4EFPR1FPR2
SCHEMBL6980825 0.94 GABRA1 (0.35) ALDH1A1MAPTKDM4EFPR1FPR2
SCHEMBL6983568 0.91 GABRA1 (0.37) ALDH1A1MAPTFPR1FPR2MEN1
SCHEMBL6983106 0.90 TSHR (0.35) ALDH1A1MAPTKDM4EFPR1FPR2
SCHEMBL6983182 0.90 TSHR (0.41) ALDH1A1MAPTKDM4EFPR1FPR2
SCHEMBL6983481 0.89 GABRA1 (0.38) ALDH1A1MAPTKDM4EFPR1FPR2
SCHEMBL6983005 0.89 CYP1A2 (0.43) ALDH1A1KDM4EFPR1FPR2GAA
SCHEMBL6980559 0.89 FPR1 (0.35) ALDH1A1MAPTKDM4EFPR1FPR2
SCHEMBL6983183 0.88 CNR1 (0.37) ALDH1A1MAPTKDM4EFPR1FPR2
SCHEMBL6975815 0.88 LMNA (0.36) ALDH1A1MAPTKDM4EFPR1FPR2

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