SCHEMBL6982874

SCHEMBL6982874

CC(C)OC(=O)COc1cc2c(=O)c(Cc3cccnc3)cn3c4ccc(Br)cc4c(c1)c23

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
PTGER2 P43116 1/20 0.36
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
MAPT P10636 5/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MDM2 Q00987 1/20 0.33
MAPK1 P28482 1/20 0.33
TBXAS1 P24557 2/20 0.32
PTAFR P25105 2/20 0.32
HTT P42858 2/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL6983182 0.90 TSHR (0.41) FPR1FPR2GABRA1GABRA5CYP1A2
SCHEMBL6983568 0.89 GABRA1 (0.37) PTGER2FPR1FPR2GABRA1GABRA5
SCHEMBL6980559 0.89 FPR1 (0.35) FPR1FPR2GABRA1GABRA5CYP1A2
SCHEMBL6983106 0.88 TSHR (0.35) FPR1FPR2GABRA1GABRA5CYP1A2
SCHEMBL6981489 0.88 FPR1 (0.36) FPR1FPR2GABRA1GABRA5CYP1A2
SCHEMBL6983481 0.88 GABRA1 (0.38) FPR1FPR2GABRA1GABRA5CYP1A2
SCHEMBL6975197 0.87 ALDH1A1 (0.36) FPR1FPR2GABRA1GABRA5CYP1A2
SCHEMBL6975815 0.86 LMNA (0.36) FPR1FPR2MAPTALDH1A1KDM4E
SCHEMBL6983005 0.86 CYP1A2 (0.43) FPR1FPR2CYP1A2CYP3A4CYP2C9
SCHEMBL6980825 0.86 GABRA1 (0.35) FPR1FPR2GABRA1GABRA5CYP1A2

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