SCHEMBL6982487

SCHEMBL6982487

O=c1c(Cc2cccnc2)cn2c3ccc(Br)cc3c3cc(OCc4ccccc4)cc1c32

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
MAPK1 P28482 2/20 0.37
MAOB P27338 2/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.35
PKM P14618 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRM2 Q14416 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PTGES O14684 1/20 0.34

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
SCHEMBL6979179 0.96 GABRA1 (0.39) LRRK2GABRA1GABRA5MAPTMEN1
SCHEMBL7673377 0.93 GABRA1 (0.39) LRRK2GABRA1GABRA5MAPTMEN1
SCHEMBL6981580 0.91 GABRA1 (0.35) LRRK2GABRA1GABRA5MAPK1MAOB
SCHEMBL6983568 0.90 GABRA1 (0.37) LRRK2GABRA1GABRA5MAPK1MAPT
SCHEMBL6983481 0.90 GABRA1 (0.38) GABRA1GABRA5MAPK1MAPTMEN1
SCHEMBL6973875 0.89 GABRA1 (0.42) LRRK2GABRA1GABRA5MAPK1MAOB
SCHEMBL6977199 0.89 GABRA1 (0.39) LRRK2GABRA1GABRA5MAOBMAPT
SCHEMBL6977175 0.88 GABRA1 (0.39) GABRA1GABRA5MAPK1MAPTMEN1
SCHEMBL6981582 0.88 FPR1 (0.34) LRRK2GABRA1GABRA5MAPK1MAOB
SCHEMBL6983183 0.88 CNR1 (0.37) GABRA1GABRA5MAPTMEN1PKM

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