SCHEMBL9832258

SCHEMBL9832258

CCC1(CC)C(=O)Nc2cc(N)c(N)cc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.47
LMNA P02545 2/20 0.42
HTR7 P34969 12/20 0.34
ALDH1A1 P00352 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR6 P50406 1/20 0.31

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
Acetic Acid SCHEMBL10477867 0.92 PGR (0.42) PGRLMNAHTR7
SCHEMBL9829837 0.81 TDP1 (0.40) PGRLMNAALDH1A1
SCHEMBL4138321 0.75 ATAD2 (0.50) PGR
SCHEMBL9833976 0.74 PGR (0.43) PGRLMNAHTR7ALDH1A1HTR1A
SCHEMBL5561847 0.73 PGR (0.46) PGRLMNAHTR7ALDH1A1HTR1A
SCHEMBL16315854 0.73 PGR (0.56) PGRLMNAHTR7ALDH1A1
SCHEMBL2242471 0.71 MEN1 (0.45) PGRLMNAHTR7ALDH1A1HTR1A
SCHEMBL13088966 0.71 PGR (0.44) PGRLMNAHTR7ALDH1A1HTR1A
SCHEMBL13732230 0.71 PGR (0.58) PGRHTR7HTR1ADRD2DRD1
SCHEMBL1696201 0.71 PGR (0.55) PGRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161632-B1 PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1991-04-10 EP disclosed
US-4963686-A INTERMEDIATES FOR INOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-10-16 US disclosed
CN-85103724-B Process for preparing pyrrolobenzimidazoles 曼海姆伯灵格股份公司 1988-07-06 CN disclosed
US-4710510-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-12-01 US disclosed
CN-85103724-A The method for preparing novel pyrrolo-benzoglyoxaline 1986-07-02 CN disclosed
EP-0161632-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1985-11-21 EP disclosed