SCHEMBL9129897

SCHEMBL9129897

OCc1cc(OCC2CC2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.45
▸ PARP15 Q460N3 3/20 0.42
▸ PARP10 Q53GL7 3/20 0.42
▸ LNPEP Q9UIQ6 4/20 0.42
▸ PARP2 Q9UGN5 1/20 0.41
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PDK2 Q15119 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL13097253 0.90 SLC2A1 (0.41) CYP2C9LNPEP
SCHEMBL17304261 0.84 LNPEP (0.53) LNPEP
SCHEMBL9278063 0.83 CYP2C9 (0.45) CYP2C9PARP15PARP10LNPEPPARP2
SCHEMBL19076086 0.83 LNPEP (0.53) LNPEP
Hydrochloric Acid SCHEMBL9128720 0.82 CYP2C9 (0.44) CYP2C9PARP15PARP10LNPEPPARP2
SCHEMBL2378999 0.79 PARP15 (0.44) CYP2C9PARP15PARP10PARP2SLC6A2
SCHEMBL9129980 0.78 LNPEP (0.44) CYP2C9PARP15PARP10LNPEPPARP2
SCHEMBL12247660 0.77 MAOA (0.46) CYP2C9PARP15PARP10PARP2SLC6A2
SCHEMBL22918690 0.76 NOS3 (0.52) PARP15PARP10PARP2SLC6A2SLC6A4
SCHEMBL19405930 0.76 PARP15 (0.44) CYP2C9PARP15PARP10PARP2SLC6A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449940-B1 NEW THERAPEUTICALLY ACTIVE COMPOUND AND A PROCESS FOR ITS PREPARATION HAESSLE AB (SE) 1995-09-13 — — EP claimed
US-5039808-A Chemical intermediate for antisecretory agent AKTIEBOLAGET HASSLE (SE) 1991-08-13 — — US claimed
WO-1990006925-A1 NEW THERAPEUTICALLY ACTIVE COMPOUND AND A PROCESS FOR ITS PREPARATION Aktiebolaget Hässle (SE) 1990-06-28 — — WO claimed
EP-0449940-B1 NEW THERAPEUTICALLY ACTIVE COMPOUND AND A PROCESS FOR ITS PREPARATION HAESSLE AB (SE) 1995-09-13 — — EP disclosed
US-5441968-A Therapeutically active fluoro substituted benzimidazoles AKTIEBOLAGET HASSLE (SE) 1995-08-15 — — US disclosed
US-5274099-A A mixture of 5- and 6-fluoro-2-(((4-cyclopropylmethoxy-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole-1-yl methyl ethyl carbonate AKTIEBOLAGET HASSLE (SE) 1993-12-28 — — US disclosed
EP-0506759-A1 THERAPEUTICALLY ACTIVE FLUORO SUBSTITUTED BENZIMIDAZOLES, PROCESSES FOR THEIR PREPARATION AS WELL AS THEIR USE AKTIEBOLAGET HÄSSLE (SE) 1992-10-07 — — EP disclosed
US-5049674-A Antiulcer AKTIEBOLAGET HASSLE (SE) 1991-09-17 — — US disclosed
US-5039808-A Chemical intermediate for antisecretory agent AKTIEBOLAGET HASSLE (SE) 1991-08-13 — — US disclosed
WO-1991009028-A1 THERAPEUTICALLY ACTIVE FLUORO SUBSTITUTED BENZIMIDAZOLES, PROCESSES FOR THEIR PREPARATION AS WELL AS THEIR USE Aktiebolaget Hässle (SE) 1991-06-27 — — WO disclosed
US-5008278-A 5-fluoro-2 (4-cyclopropylmethoxy-2-pridinyl)-methyl! sulfinyl!-1h-benzimidazole for inhibiting gastric acid secretion AKTIEBOLAGET HASSLE (SE) 1991-04-16 — — US disclosed
WO-1990006925-A1 NEW THERAPEUTICALLY ACTIVE COMPOUND AND A PROCESS FOR ITS PREPARATION Aktiebolaget Hässle (SE) 1990-06-28 — — WO disclosed
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