SCHEMBL6974311

SCHEMBL6974311

O=C(O)COc1cc2c(=O)c(Cc3cccnc3)cn3c4cc(Br)ccc4c(c1)c23

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRA5 P31644 1/20 0.37
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
PLA2G4A P47712 1/20 0.35
TBXAS1 P24557 4/20 0.35
PTAFR P25105 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
LRRK2 Q5S007 1/20 0.34
HTT P42858 2/20 0.33
CTRC Q99895 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6983568 0.93 GABRA1 (0.37) GABRA1GABRA5FPR1FPR2PLA2G4A
SCHEMBL6977199 0.90 GABRA1 (0.39) GABRA1GABRA5FPR1FPR2CYP1A2
SCHEMBL6974001 0.89 PSEN1 (0.35) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL6979040 0.89 CYP1A2 (0.43) FPR1FPR2CYP1A2CYP3A4CYP2C9
SCHEMBL1961296 0.89 GABRA1 (0.36) GABRA1GABRA5FPR1FPR2TBXAS1
Hydrochloric Acid SCHEMBL6977314 0.88 GABRA1 (0.36) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL6981594 0.88 GABRA1 (0.37) GABRA1GABRA5FPR1FPR2CYP1A2
SCHEMBL6980050 0.87 GABRA1 (0.39) GABRA1GABRA5FPR1FPR2CYP1A2
Fumaric Acid SCHEMBL6982366 0.87 TBXAS1 (0.34) GABRA1GABRA5FPR1FPR2TBXAS1
Maleic Acid SCHEMBL6982359 0.87 TBXAS1 (0.34) GABRA1GABRA5FPR1FPR2TBXAS1

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