SCHEMBL6979196

SCHEMBL6979196

[CH2]c1cncc(C(=O)OCC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.68
CYP2C9 P11712 1/20 0.68
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.43
MAOA P21397 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL277284 0.87 CYP2C19 (0.86) CYP2C19CYP2C9CA12CA1CA2
Hydrochloric Acid SCHEMBL9679507 0.85 CYP2C19 (0.83) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL6979199 0.82 CYP2C19 (0.72) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL29597594 0.81 CYP2C19 (0.70) CYP2C19CYP2C9ATMSMN1; SMN2MAPT
SCHEMBL2112657 0.81 CYP2C19 (1.00) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL12629121 0.81 CYP2C19 (0.70) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL28328600 0.81 CYP2C19 (0.75) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL158686 0.81 CYP2C19 (0.70) CYP2C19CYP2C9ATMSMN1; SMN2MAPT
SCHEMBL1812268 0.81 CYP2C9 (0.70) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL6981589 0.80 ATM (0.65) CYP2C19CYP2C9CA12CA1CA2

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 8 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
CN-1284075-A Novel compounds having CGMP-PDE inhibitory effect MOCHIDA PHARM CO LTD (JP) 2001-02-14 CN disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP 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