SCHEMBL7982989

SCHEMBL7982989

[c]1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
KCNN4 O15554 3/20 0.37
KCNA3 P22001 2/20 0.37
TSHR P16473 3/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
NR1I2 O75469 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
TRPM2 O94759 1/20 0.33
ABCB11 O95342 1/20 0.33
EGFR P00533 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
NR3C1 P04150 1/20 0.33
ERBB2 P04626 1/20 0.33
TP53 P04637 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL8443085 0.68 CYP11B1 (0.36) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL8443367 0.68 CYP11B1 (0.40) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL2392374 0.67 KCNN4 (0.69) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL9602007 0.65 KCNN4 (0.38) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL7796676 0.65 CYP11B1 (0.46) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL14478094 0.64 CYP11B1 (0.40) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL6638948 0.64 CYP11B1 (0.40) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL2194189 0.64 CYP11B1 (0.40) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL18593131 0.64 CYP11B1 (0.40) CYP11B1CYP11B2KCNN4KCNA3TSHR
SCHEMBL2361042 0.63 KCNN4 (0.67) CYP11B1CYP11B2KCNN4KCNA3TSHR

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
US-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US claimed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP claimed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO claimed
CN-117545751-A 2, 4-diaminopyrimidine derivatives as ULK1/2 inhibitors and their use 生命爱科 2024-02-09 CN disclosed
EP-0215435-B1 2-OXA-ISOCEPHEM COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-4831026-A ANTIBIOTICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0215435-A1 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-03-25 EP disclosed