SCHEMBL8419155

SCHEMBL8419155

CCOc1nc2c(COC(=O)C3CCCCC3)ccc(C(=O)OC)c2n1-c1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.34
KMT2A Q03164 4/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 3/20 0.34
TP53 P04637 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 2/20 0.34
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
USP2 O75604 1/20 0.34
ESR1 P03372 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
ADRB2 P07550 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL8417657 0.99 TDP1 (0.34) KDM4EKMT2AHPGDMEN1TP53
SCHEMBL8419272 0.89 AGTR2 (0.33) CYP3A4ADORA3ADRA2BSLC6A2AGTR1
SCHEMBL8417847 0.88 AGTR2 (0.32) CYP3A4ADORA3ADRA2BSLC6A2AGTR1
SCHEMBL8419288 0.88 AGTR1 (0.32) KDM4EKMT2AHPGDMEN1TP53
SCHEMBL8633512 0.87 AGTR1 (0.36) CYP3A4ADORA3ADRA2BSLC6A2AGTR1
SCHEMBL8417952 0.87 AGTR1 (0.34) CYP3A4ADORA3ADRA2BSLC6A2AGTR1
SCHEMBL8419565 0.87 AGTR2 (0.32) CYP3A4ADORA3ADRA2BSLC6A2AGTR1
SCHEMBL8635506 0.87 AGTR2 (0.32) CYP3A4ADORA3ADRA2BSLC6A2AGTR1
SCHEMBL8421150 0.84 AGTR2 (0.32) CYP3A4ADORA3ADRA2BSLC6A2AGTR1
SCHEMBL8417421 0.83 AGTR1 (0.34) CYP3A4ADORA3ADRA2BSLC6A2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US claimed
US-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5763619-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS OR STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-09 US disclosed
US-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed
US-5703110-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed