SCHEMBL8552364

SCHEMBL8552364

CCCCCN(Cc1ccc(-c2ccccc2C#N)cc1)c1sccc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.44
AGTR1 P30556 10/20 0.40
AGTR2 P50052 10/20 0.40
CMKLR1 Q99788 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.36
AKR1B1 P15121 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
BDKRB1 P46663 1/20 0.36

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
SCHEMBL8552360 0.85 LTB4R2 (0.58) LTB4R2AGTR1
SCHEMBL8547981 0.80 AGTR1 (0.42) LTB4R2AGTR1AGTR2CMKLR1
SCHEMBL8550854 0.79 CMKLR1 (0.42) LTB4R2AGTR1AGTR2CMKLR1
SCHEMBL8472095 0.75 FFAR1 (0.41) LTB4R2AGTR1AGTR2FFAR1AKR1B1
SCHEMBL9197099 0.75 CMKLR1 (0.42) LTB4R2AGTR1AGTR2CMKLR1KDM4E
SCHEMBL9194229 0.75 CMKLR1 (0.42) LTB4R2AGTR1AGTR2CMKLR1KDM4E
SCHEMBL9424056 0.75 AGTR1 (0.67) AGTR1AGTR2BDKRB1
SCHEMBL2630 0.74 AGTR1 (0.40) LTB4R2AGTR1AGTR2FFAR1AKR1B1
SCHEMBL2918 0.74 AGTR1 (0.40) LTB4R2AGTR1AGTR2FFAR1AKR1B1
SCHEMBL8944295 0.73 AGTR1 (0.38) LTB4R2AGTR1AGTR2CMKLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588299-B1 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
EP-0829479-A1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-18 EP disclosed
US-5500427-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-19 US disclosed
EP-0588299-A2 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-23 EP disclosed