SCHEMBL10339439

SCHEMBL10339439

NN1c2ccccc2CC1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.50

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
SCHEMBL1445011 0.80 ACE (0.51) ACE
SCHEMBL11077397 0.79 ACE (0.58) ACE
SCHEMBL5847068 0.79 ACE (0.54) ACE
SCHEMBL8633111 0.79 ACE (0.61) ACE
SCHEMBL27439563 0.79 ACE (0.50) ACE
SCHEMBL29443075 0.79 ACE (0.61) ACE
SCHEMBL17461305 0.79 ACE (0.50) ACE
SCHEMBL4278365 0.79 ACE (0.54) ACE
SCHEMBL5847071 0.79 ACE (0.54) ACE
SCHEMBL27463121 0.79 ACE (0.50) ACE

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
JP-2225462-A — — None — — JP disclosed
EP-2764140-B1 MODULATION OF STRUCTURED POLYPEPTIDE SPECIFICITY BICYCLE THERAPEUTICS LTD (GB) 2017-08-30 — — EP disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 — — EP disclosed
WO-2009065922-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 — — WO disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 — — WO disclosed
WO-2009065921-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 — — WO disclosed
EP-2062889-A1 Compounds Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-27 — — EP disclosed
JP-H02225462-A N-ACETYL-INDOLINE-2-CARBOXYLIC ACID ESTER AND OPTICAL RESOLUTION NISSAN CHEM IND LTD 1990-09-07 — — JP disclosed
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