SCHEMBL6984153

SCHEMBL6984153

Nc1cc2c(=O)c(Cc3cccnc3)cn3c4ccccc4c(c1)c23

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
GUSB P08236 1/20 0.37
GABRA1 P14867 3/20 0.36
GABRA5 P31644 3/20 0.36
KCNH2 Q12809 1/20 0.36
PNP P00491 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
VKORC1 Q9BQB6 1/20 0.35
MPO P05164 1/20 0.35
ALOX5 P09917 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 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
SCHEMBL6976958 0.89 GUSB (0.37) GUSBGABRA1GABRA5KCNH2KDM4E
SCHEMBL8153648 0.89 VKORC1 (0.40) GUSBGABRA1GABRA5KCNH2KDM4E
SCHEMBL6979014 0.86 GABRA1 (0.41) GUSBGABRA1GABRA5KDM4EHTT
SCHEMBL6975094 0.85 GABRA5 (0.38) GABRA1GABRA5PNPMPOCYP19A1
SCHEMBL7666493 0.85 GABRA1 (0.40) GUSBGABRA1GABRA5KCNH2KDM4E
SCHEMBL8151315 0.84 KDM4E (0.41) GABRA1GABRA5KDM4EHTTLMNA
SCHEMBL6970863 0.82 CYP1A2 (0.39) ADORA2AADORA1GABRA1GABRA5KCNH2
SCHEMBL7670714 0.79 KCNH2 (0.39) GUSBGABRA1GABRA5KCNH2KDM4E
SCHEMBL6981678 0.78 GABRA1 (0.46) GABRA1GABRA5LMNATSHRCYP2C9
SCHEMBL6968571 0.77 GABRA1 (0.43) GABRA1GABRA5HTTCYP1A2CYP3A4

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