SCHEMBL6971083

SCHEMBL6971083

O=c1c(Cc2cccnc2)cn2c3cc(F)ccc3c3cc(OCCCO)cc1c32

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.36
GRM2 Q14416 2/20 0.35
TBXAS1 P24557 3/20 0.35
TBXA2R P21731 2/20 0.35
GRIN1 Q05586 4/20 0.34
GRIN2B Q13224 4/20 0.34
DRD4 P21917 1/20 0.33
IDO1 P14902 1/20 0.33
PLA2G7 Q13093 1/20 0.33
PLK1 P53350 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL6975039 0.95 TBXAS1 (0.36) PTGDR2GRM2TBXAS1TBXA2RGRIN1
SCHEMBL6977996 0.90 MCL1 (0.39) GRM2TBXAS1PLA2G7
SCHEMBL1961296 0.90 GABRA1 (0.36) GRM2TBXAS1PLA2G7CYP1A2CYP3A4
SCHEMBL6970863 0.89 CYP1A2 (0.39) PLA2G7CYP11B1CYP11B2LMNACYP1A2
SCHEMBL6973785 0.89 CYP11B1 (0.35) TBXAS1TBXA2RGRIN1GRIN2BCYP11B1
Hydrochloric Acid SCHEMBL6977314 0.89 GABRA1 (0.36) TBXAS1PLA2G7CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6973682 0.89 MCL1 (0.39) GRM2TBXAS1PLA2G7
Hydrochloric Acid SCHEMBL6979332 0.88 CYP11B1 (0.35) TBXAS1TBXA2RGRIN1GRIN2BCYP11B1
SCHEMBL6975041 0.88 PTGDR2 (0.34) PTGDR2GRM2TBXAS1GRIN1GRIN2B
Sulfuric Acid SCHEMBL6983443 0.87 GABRA1 (0.35) TBXAS1PLA2G7CYP1A2CYP3A4CYP2C9

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