SCHEMBL6981678

SCHEMBL6981678

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRA5 P31644 2/20 0.46
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP19A1 P11511 2/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.39
TBXAS1 P24557 1/20 0.39
PTAFR P25105 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 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
SCHEMBL6975201 0.94 GABRA1 (0.43) GABRA1GABRA5CYP11B1CYP11B2MTNR1A
SCHEMBL6977175 0.92 GABRA1 (0.39) GABRA1GABRA5CYP11B1CYP11B2MTNR1A
SCHEMBL6982921 0.92 PTGDR2 (0.43) GABRA1GABRA5CYP11B1CYP11B2ALDH1A1
SCHEMBL6981471 0.92 GABRA5 (0.43) GABRA1GABRA5CYP11B1CYP11B2ALDH1A1
SCHEMBL6979943 0.92 GABRA1 (0.39) GABRA1GABRA5CYP11B1CYP11B2ALDH1A1
SCHEMBL6979014 0.92 GABRA1 (0.41) GABRA1GABRA5CYP11B1CYP11B2ALDH1A1
SCHEMBL6973875 0.92 GABRA1 (0.42) GABRA1GABRA5CYP11B1CYP11B2ALDH1A1
SCHEMBL6980050 0.86 GABRA1 (0.39) GABRA1GABRA5CYP11B1CYP11B2MTNR1A
SCHEMBL6981815 0.85 GABRA1 (0.46) GABRA1GABRA5CYP11B1CYP11B2ALDH1A1
SCHEMBL7674354 0.84 GABRA1 (0.39) GABRA1GABRA5CYP11B1CYP11B2MTNR1A

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