SCHEMBL6978829

SCHEMBL6978829

O=c1c(Cc2cccnc2)cn2c3ccc(Br)cc3c3cc(OCCCO)cc1c32

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRA5 P31644 1/20 0.36
TBXAS1 P24557 1/20 0.34
PTAFR P25105 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KCNA5 P22460 3/20 0.33
PLA2G7 Q13093 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 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
SCHEMBL7674357 0.97 GABRA1 (0.36) GABRA1GABRA5TBXAS1PTAFRCYP1A2
SCHEMBL1961296 0.93 GABRA1 (0.36) GABRA1GABRA5TBXAS1PTAFRCYP1A2
Hydrochloric Acid SCHEMBL6977314 0.92 GABRA1 (0.36) GABRA1GABRA5TBXAS1PTAFRCYP1A2
SCHEMBL7662030 0.92 GABRA1 (0.34) GABRA1GABRA5TBXAS1PTAFRCYP1A2
SCHEMBL7662032 0.92 GABRA1 (0.34) GABRA1GABRA5TBXAS1PTAFRCYP1A2
SCHEMBL6983183 0.91 CNR1 (0.37) GABRA1GABRA5CYP1A2CYP3A4CYP2C9
SCHEMBL7668963 0.91 GABRA1 (0.36) GABRA1GABRA5TBXAS1PTAFRCYP1A2
Sulfuric Acid SCHEMBL6983443 0.90 GABRA1 (0.35) GABRA1GABRA5TBXAS1PTAFRCYP1A2
SCHEMBL6970863 0.89 CYP1A2 (0.39) GABRA1GABRA5CYP1A2CYP3A4CYP2C9
SCHEMBL6979179 0.89 GABRA1 (0.39) GABRA1GABRA5TBXAS1PTAFRCYP1A2

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 6 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-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 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