SCHEMBL7429093

SCHEMBL7429093

COc1cc2c(cc1OC)NC(=O)CCC2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
MAPT P10636 2/20 0.47
SRC P12931 2/20 0.43
EGFR P00533 1/20 0.43
PDE4B Q07343 1/20 0.42
TP53 P04637 2/20 0.41
KIF11 P52732 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40
CRBN Q96SW2 1/20 0.40

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
SCHEMBL30340281 1.00 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2MAPTSRC
SCHEMBL16339494 0.89 CYP11B1 (0.57) CYP19A1CYP11B1CYP11B2MAPTSRC
SCHEMBL21468447 0.87 CYP11B1 (0.44) CYP19A1CYP11B1CYP11B2MAPTPDE4B
SCHEMBL6136841 0.87 HTR2A (0.47) CYP19A1CYP11B1CYP11B2MAPTPDE4B
SCHEMBL13178659 0.86 POLB (0.50) CYP19A1CYP11B1CYP11B2MAPTPDE4B
SCHEMBL6605984 0.85 ALDH1A1 (0.45) CYP19A1CYP11B1CYP11B2MAPTTP53
SCHEMBL3041636 0.83 MAOA (0.53) CYP19A1CYP11B1CYP11B2PDE4BKMT2A
SCHEMBL12481477 0.82 CHEK1 (0.42) CYP19A1CYP11B1CYP11B2MAPTTP53
SCHEMBL578508 0.80 SRC (0.57) MAPTSRCEGFRTP53CYP3A4
SCHEMBL16339815 0.80 CYP11B1 (0.49) CYP19A1CYP11B1CYP11B2SRCEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372273-A Ivabradine intermediate compound IV 鲁南制药集团股份有限公司 2021-09-10 CN claimed
CN-113372274-B Preparation method of ivabradine 鲁南制药集团股份有限公司 2023-03-24 CN disclosed
CN-113372274-B Preparation method of ivabradine 鲁南制药集团股份有限公司 2023-03-24 CN disclosed
CN-113372274-A Preparation method of ivabradine 鲁南制药集团股份有限公司 2021-09-10 CN disclosed
CN-113372273-A Ivabradine intermediate compound IV 鲁南制药集团股份有限公司 2021-09-10 CN disclosed
CN-113372273-A Ivabradine intermediate compound IV 鲁南制药集团股份有限公司 2021-09-10 CN disclosed
CN-113372274-A Preparation method of ivabradine 鲁南制药集团股份有限公司 2021-09-10 CN disclosed
US-4575503-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1986-03-11 US disclosed
US-4473575-A ANGIOTENSIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1984-09-25 US disclosed
US-4410520-A ANGIOTENSION CONVERTING ENZYME INGIBITOR, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed
EP-0072352-A1 Benzazepin-2-ones, process for their preparation, pharmaceutical preparations containing these compounds and the compounds for therapeutical use CIBA-GEIGY AG (CH) 1983-02-16 EP disclosed