SCHEMBL6979943

SCHEMBL6979943

CCc1ccc2c(c1)c1cc(OC)cc3c(=O)c(Cc4cccnc4)cn2c31

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRA5 P31644 2/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TP53 P04637 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALPL P05186 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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) GABRA1GABRA5CNR1CNR2CYP11B1
SCHEMBL6977175 0.89 GABRA1 (0.39) GABRA1GABRA5CNR1CNR2CYP11B1
SCHEMBL6982921 0.89 PTGDR2 (0.43) GABRA1GABRA5CNR1CNR2CYP11B1
SCHEMBL6981471 0.89 GABRA5 (0.43) GABRA1GABRA5CNR1CNR2CYP11B1
SCHEMBL6979014 0.88 GABRA1 (0.41) GABRA1GABRA5CNR1CNR2CYP11B1
SCHEMBL6975201 0.87 GABRA1 (0.43) GABRA1GABRA5CYP11B1CYP11B2ALDH1A1
SCHEMBL6973875 0.84 GABRA1 (0.42) GABRA1GABRA5CYP11B1CYP11B2ALDH1A1
SCHEMBL6980050 0.83 GABRA1 (0.39) GABRA1GABRA5CNR1CNR2CYP11B1
SCHEMBL6983481 0.81 GABRA1 (0.38) GABRA1GABRA5CNR1CNR2TP53
SCHEMBL7674354 0.81 GABRA1 (0.39) GABRA1GABRA5CNR1CNR2CYP11B1

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