SCHEMBL6981815

SCHEMBL6981815

COc1ccc2c3cccc4c(=O)c(Cc5cccnc5)cn(c2c1)c43

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRA5 P31644 2/20 0.46
GAA P10253 2/20 0.41
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP19A1 P11511 2/20 0.40
CYP2C9 P11712 2/20 0.39
FGFR1 P11362 1/20 0.39
FGFR4 P22455 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GFER P55789 1/20 0.39
ROCK2 O75116 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TBXAS1 P24557 1/20 0.38
PTAFR P25105 1/20 0.38

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
SCHEMBL8145307 0.89 PARP1 (0.38) GABRA1GABRA5GAAKMT2AALDH1A1
SCHEMBL6979014 0.85 GABRA1 (0.41) GABRA1GABRA5GAACYP11B1CYP11B2
SCHEMBL6981678 0.85 GABRA1 (0.46) GABRA1GABRA5GAACYP11B1CYP11B2
SCHEMBL8144941 0.85 CYP19A1 (0.38) GABRA1GABRA5CYP19A1ALDH1A1MAPT
SCHEMBL6980050 0.83 GABRA1 (0.39) GABRA1GABRA5GAACYP11B1CYP11B2
SCHEMBL6977266 0.82 CNR1 (0.42) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7674354 0.82 GABRA1 (0.39) GABRA1GABRA5GAACYP11B1CYP11B2
SCHEMBL6975201 0.82 GABRA1 (0.43) GABRA1GABRA5GAACYP11B1CYP11B2
SCHEMBL6979540 0.81 CNR1 (0.39) GABRA1GABRA5GAAMEN1KMT2A
SCHEMBL6983342 0.80 MAT2A (0.44) GABRA1GABRA5ALDH1A1MAPT

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