SCHEMBL6981782

SCHEMBL6981782

COc1cc2c3c(c1)c1cc(Cl)ccc1n3CCC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
PRKCA P17252 1/20 0.38
GSK3B P49841 1/20 0.38
PDE2A O00408 1/20 0.36
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAP4K4 O95819 1/20 0.35
AURKB Q96GD4 1/20 0.35
SRPK1 Q96SB4 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 2/20 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
SCHEMBL6971863 0.90 ALDH1A1 (0.41) MAPTKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL6982156 0.86 VHL (0.39) HTR2AHTR2CMAPTKDM4EALDH1A1
SCHEMBL6982697 0.84 TUBB4A (0.42) PRKCAGSK3BMAPTKDM4EALDH1A1
SCHEMBL6981196 0.80 DRD2 (0.37) TDP1MCL1HTR6
SCHEMBL6982876 0.78 MAPT (0.36) HTR2AHTR2CMAPTKDM4EALDH1A1
SCHEMBL6969812 0.78 APP (0.34) GSK3BMAPTKDM4EALDH1A1MAPK1
SCHEMBL7668704 0.76 MAPT (0.34) HTR2AHTR2CGSK3BMAPTKDM4E
SCHEMBL7667134 0.74 TUBB4A (0.33) GSK3BMAPTKDM4EALDH1A1MAPK1
SCHEMBL7663863 0.68 MAPT (0.34) HTR2AHTR2CMAPTKDM4EALDH1A1
SCHEMBL6983511 0.68 TUBB4A (0.42) MAPTKDM4EALDH1A1MAPK1HSD17B10

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