SCHEMBL9836068

SCHEMBL9836068

CC1(C)C(=O)Nc2cc3[nH]c(C(F)(F)C(F)(F)C(F)(F)F)nc3cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.46
PDE3A Q14432 4/20 0.46
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
AURKA O14965 3/20 0.46
AURKB Q96GD4 3/20 0.46
POLB P06746 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
AR P10275 4/20 0.34
ATAD2 Q6PL18 1/20 0.34
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
PGR P06401 2/20 0.32
MEN1 O00255 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9835858 0.92 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834490 0.87 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9835643 0.83 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9835173 0.76 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834966 0.76 AURKA (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834585 0.75 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10667572 0.74 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9836087 0.74 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
Bromide SCHEMBL10555121 0.73 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10373612 0.72 PDE4A (0.67) PDE3BPDE3APDE4APDE4BPDE4C

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