SCHEMBL7448069

SCHEMBL7448069

CCCCc1ncc(C(C)=C(C(=O)O)c2cccs2)n1Cc1ccc(C(=O)O)cc1.CS(=O)(=O)O

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 known ✓ P30556 4/20 0.54
ABCC3 O15438 1/20 0.54
ABCC2 Q92887 1/20 0.54
AGTR2 P50052 1/20 0.48

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
SCHEMBL7048382 0.96 AGTR1 (0.58) AGTR1ABCC3ABCC2AGTR2
SCHEMBL9593121 0.89 AGTR1 (0.52) AGTR1ABCC3ABCC2AGTR2
SCHEMBL6967063 0.84 AGTR1 (0.47) AGTR1ABCC3ABCC2
SCHEMBL6968424 0.81 AGTR1 (0.58) AGTR1
SCHEMBL6959552 0.81 AGTR1 (0.43) AGTR1ABCC3ABCC2
SCHEMBL8314073 0.78 AGTR1 (0.44) AGTR1
SCHEMBL9593779 0.77 KDM4E (0.45) AGTR1AGTR2
SCHEMBL4943548 0.77 AGTR1 (0.58) AGTR1ABCC3ABCC2AGTR2
Eprosartan SCHEMBL5785067 0.75 AGTR1 (0.92) AGTR1ABCC3ABCC2
Eprosartan SCHEMBL41396 0.75 AGTR1 (0.92) AGTR1ABCC3ABCC2

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-0565634-B1 ANGIOTENSIN II RECEPTOR BLOCKING COMPOSITIONS SMITHKLINE BEECHAM CORP (US) 1999-03-17 EP claimed
US-5656650-A TREATING HYPERTENSION SMITHKLINE BEECHAM CORP. 1997-08-12 US claimed
EP-0565634-A1 ANGIOTENSIN II RECEPTOR BLOCKING COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 1993-10-20 EP claimed
WO-1992010097-A1 ANGIOTENSIN II RECEPTOR BLOCKING COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 1992-06-25 WO claimed