SCHEMBL6973875

SCHEMBL6973875

COc1ccc2c(c1)c1cc(OCc3ccccc3)cc3c(=O)c(Cc4cccnc4)cn2c31

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRA5 P31644 1/20 0.42
MAOB P27338 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LRRK2 Q5S007 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
CYP19A1 P11511 2/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
KIT P10721 1/20 0.38
MAPK1 P28482 3/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
TBXAS1 P24557 1/20 0.37

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
SCHEMBL6981678 0.92 GABRA1 (0.46) GABRA1GABRA5MAOBCYP11B1CYP11B2
SCHEMBL6975201 0.90 GABRA1 (0.43) GABRA1GABRA5MAOBCYP11B1CYP11B2
SCHEMBL6982487 0.89 LRRK2 (0.38) GABRA1GABRA5MAOBLRRK2ALDH1A1
SCHEMBL6979014 0.86 GABRA1 (0.41) GABRA1GABRA5CYP11B1CYP11B2CYP19A1
SCHEMBL6979179 0.85 GABRA1 (0.39) GABRA1GABRA5CYP11B1CYP11B2LRRK2
SCHEMBL6982921 0.84 PTGDR2 (0.43) GABRA1GABRA5CYP11B1CYP11B2CYP19A1
SCHEMBL6981471 0.84 GABRA5 (0.43) GABRA1GABRA5CYP11B1CYP11B2ALDH1A1
SCHEMBL6977175 0.84 GABRA1 (0.39) GABRA1GABRA5CYP11B1CYP11B2ALDH1A1
SCHEMBL6979943 0.84 GABRA1 (0.39) GABRA1GABRA5CYP11B1CYP11B2ALDH1A1
SCHEMBL7673377 0.82 GABRA1 (0.39) GABRA1GABRA5CYP11B1CYP11B2LRRK2

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