SCHEMBL6979014

SCHEMBL6979014

COc1cc2c(=O)c(Cc3cccnc3)cn3c4ccccc4c(c1)c23

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRA5 P31644 2/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
GUSB P08236 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
CYP19A1 P11511 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) GABRA1GABRA5GAACYP11B1CYP11B2
SCHEMBL8151315 0.89 KDM4E (0.41) GABRA1GABRA5GAAKDM4ECYP1A2
SCHEMBL6981471 0.88 GABRA5 (0.43) GABRA1GABRA5KMT2ACYP11B1CYP11B2
SCHEMBL6982921 0.88 PTGDR2 (0.43) GABRA1GABRA5GAAKDM4EMEN1
SCHEMBL6979943 0.88 GABRA1 (0.39) GABRA1GABRA5GAAKDM4ECYP11B1
SCHEMBL6977175 0.88 GABRA1 (0.39) GABRA1GABRA5GAAMEN1KMT2A
SCHEMBL6980050 0.88 GABRA1 (0.39) GABRA1GABRA5GAAMEN1KMT2A
SCHEMBL6976958 0.86 GUSB (0.37) GABRA1GABRA5KDM4EMEN1KMT2A
SCHEMBL6984153 0.86 ADORA2A (0.38) GABRA1GABRA5KDM4ECYP11B1CYP11B2
SCHEMBL8153648 0.86 VKORC1 (0.40) GABRA1GABRA5KDM4ECYP1A2CYP3A4

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 5 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-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP 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