SCHEMBL9833976

SCHEMBL9833976

CCC1(CC)C(=O)Nc2cc3c(cc21)NC(C)N3

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.43
LMNA P02545 2/20 0.38
HTR7 P34969 15/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR6 P50406 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL9832475 0.81 BRD4 (0.32)
SCHEMBL9832939 0.80 ALDH1A1 (0.43) PGRHTR7HTR1ADRD2DRD1
SCHEMBL10373501 0.79 PGR (0.44) PGRLMNAHTR7
SCHEMBL9834972 0.77 ATAD2 (0.50) PGR
SCHEMBL9833527 0.76 ALDH1A1 (0.49) PGRLMNAHTR7ALDH1A1
SCHEMBL10568514 0.76 ALDH1A1 (0.45) PGRHTR7ALDH1A1
SCHEMBL9832258 0.74 PGR (0.47) PGRLMNAHTR7HTR1ADRD2
SCHEMBL10472875 0.73 PGR (0.37) PGRHTR7HTR1ADRD2DRD1
SCHEMBL9832126 0.73 KDM4E (0.47) PGRALDH1A1
SCHEMBL5561847 0.72 PGR (0.46) PGRLMNAHTR7HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214592-B1 PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed
EP-0214592-A2 Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products Roche Diagnostics GmbH (DE) 1987-03-18 EP disclosed