SCHEMBL7960903

SCHEMBL7960903

CCCCNC(=O)Nc1cccc(C(=O)OC)c1NCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.47
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL3977075 0.91 LTB4R2 (0.46) BDKRB1ALDH1A1KDM4EL3MBTL1POLB
SCHEMBL3977563 0.86 BDKRB1 (0.52) BDKRB1GAAALDH1A1KDM4EHPGD
SCHEMBL3976517 0.84 BDKRB1 (0.48) BDKRB1GAAALDH1A1KDM4EHPGD
SCHEMBL3978885 0.82 BDKRB1 (0.49) BDKRB1ALDH1A1KDM4EHPGDCRHBP
SCHEMBL8419112 0.80 L3MBTL1 (0.45) GAAALDH1A1KDM4EL3MBTL1POLB
SCHEMBL3974833 0.80 ALDH1A1 (0.42) BDKRB1GAAALDH1A1KDM4EL3MBTL1
SCHEMBL2927336 0.79 BDKRB1 (0.49) BDKRB1ALDH1A1KDM4EHPGDCRHBP
SCHEMBL3982611 0.78 ALDH1A1 (0.43) BDKRB1GAAALDH1A1KDM4EL3MBTL1
SCHEMBL7960900 0.77 BDKRB1 (0.42) BDKRB1ALDH1A1KDM4EHPGDCRHBP
SCHEMBL2598198 0.76 BDKRB1 (0.47) BDKRB1ALDH1A1KDM4EHPGDCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232334-B1 HAVE POTENT ANGIOTENSIN II ANTAGONISTIC ACTIVITY AND ANTIHYPERTENSIVE ACTIVITY, FOR TREATING CIRCULATORY SYSTEM DISEASES SUCH AS HYPERTENSIVE DISEASES, HEART DISEASES, STROKES, CEREBRAL APOPLEXY AND NEPHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-15 US disclosed
US-6004989-A ETHYL 2-ETHOXY-1-(2'-1H-TETRAZOL-5-YL)BIPHENYL-4-YL)METHYL) BENZIMIDAZOLE-7-CARBOXYLATE AND SALTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-21 US disclosed