SCHEMBL6624771

SCHEMBL6624771

CN(C)C=CC(=O)c1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
HPGD P15428 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
ALOX12 P18054 1/20 0.59
ALDH1A1 P00352 8/20 0.57
GAA P10253 2/20 0.57
HTT P42858 2/20 0.57
RECQL P46063 2/20 0.54
LMNA P02545 2/20 0.52
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 2/20 0.49
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46

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
SCHEMBL9059004 0.84 RECQL (0.57) MAPTHPGDCYP1A2CYP2C19ALOX12
SCHEMBL9059005 0.84 RECQL (0.57) MAPTHPGDCYP1A2CYP2C19ALOX12
SCHEMBL27564821 0.84 MAPT (0.56) MAPTHPGDCYP1A2CYP2C19ALOX12
SCHEMBL8837891 0.84 MAPT (0.67) MAPTHPGDCYP1A2CYP2C19ALOX12
SCHEMBL8837893 0.84 MAPT (0.67) MAPTHPGDCYP1A2CYP2C19ALOX12
SCHEMBL16628019 0.78 MAPT (0.76) MAPTHPGDCYP1A2CYP2C19ALOX12
SCHEMBL16911346 0.78 MAPT (0.76) MAPTHPGDCYP1A2CYP2C19ALOX12
SCHEMBL23610389 0.77 MAPT (0.62) MAPTHPGDCYP1A2CYP2C19ALOX12
SCHEMBL30714430 0.77 MAPT (0.62) MAPTHPGDCYP1A2CYP2C19ALOX12
SCHEMBL4894903 0.77 RECQL (0.75) MAPTHPGDCYP1A2CYP2C19ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216045-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS American Cynamid Company (US) 2002-06-26 EP claimed
WO-2001022969-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS AMERICAN CYNAMID COMPANY (US) 2001-04-05 WO claimed
EP-1000012-A1 PROCESS FOR CONVERTING PROPARGYLIC AMINE-N-OXIDES TO ENAMINONES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP claimed
US-5932745-A HYDROXYLIC SOLVENT AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-03 US claimed
WO-1999006351-A1 PROCESS FOR CONVERTING PROPARGYLIC AMINE-N-OXIDES TO ENAMINONES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO claimed
US-6831079-B1 Oral delivery; nitrogen triheterocyclic active material, surfactant, polyethylene glycol with sucrose fatty acid esters and/or polyvinylpyrrolidone AMERICAN CYANAMID COMPANY 2004-12-14 US disclosed
EP-1000062-B1 TRICYCLIC VASOPRESSIN AGONISTS WYETH CORP (US) 2004-09-22 EP disclosed
US-6511974-B1 Non-peptidic and have good oral bioavailability, specific vasopressin V2 agonists, therefore do not raise blood pressure WYETH 2003-01-28 US disclosed
EP-1216045-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS American Cynamid Company (US) 2002-06-26 EP disclosed
WO-2001022969-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS AMERICAN CYNAMID COMPANY (US) 2001-04-05 WO disclosed
EP-1000012-A1 PROCESS FOR CONVERTING PROPARGYLIC AMINE-N-OXIDES TO ENAMINONES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP disclosed
EP-1000062-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP disclosed
US-5932745-A HYDROXYLIC SOLVENT AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-03 US disclosed
WO-1999006409-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO disclosed
WO-1999006351-A1 PROCESS FOR CONVERTING PROPARGYLIC AMINE-N-OXIDES TO ENAMINONES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO disclosed