SCHEMBL6606543

SCHEMBL6606543

CCCCNCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
ESR2 Q92731 1/20 0.46
ACHE P22303 1/20 0.46
PARP1 P09874 2/20 0.46
PPARG P37231 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
HTR6 P50406 1/20 0.43
MYC P01106 1/20 0.43
WDR5 P61964 1/20 0.43
CYP1A2 P05177 2/20 0.43

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
SCHEMBL6606339 0.92 ESR2 (0.49) HRH4HRH3ESR2ACHEPPARG
SCHEMBL2401 0.86 ESR2 (0.50) HRH4HRH3ESR2SMN1; SMN2PDCD1
SCHEMBL2083 0.85 SCN8A (0.46) HRH4HRH3ESR2SMN1; SMN2PDCD1
SCHEMBL2694 0.85 ESR2 (0.49) HRH4HRH3ESR2ACHESMN1; SMN2
SCHEMBL2545 0.82 L3MBTL1 (0.47) ESR2PPARGPDCD1CD274MYC
Hydrochloric Acid SCHEMBL2743 0.81 L3MBTL1 (0.49) ESR2PPARGSMN1; SMN2PDCD1CD274
SCHEMBL2692039 0.81 PPARG (0.53) ESR2ACHEPPARGSMN1; SMN2ALDH1A1
SCHEMBL2405 0.81 DRD4 (0.50) ESR2CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL7435402 0.81 ESR2 (0.56) ESR2ACHEPPARGMYCWDR5
SCHEMBL8383188 0.80 MYC (0.43) ESR2PPARGSMN1; SMN2PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0829479-B1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-04-14 EP disclosed
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
US-5369110-A Hypotensive agents, cardiac insufficiency treatment CIBA-GEIGY CORPORATION (US) 1994-11-29 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
EP-0490820-A2 Biphenylyl compounds CIBA-GEIGY AG (CH) 1992-06-17 EP disclosed