SCHEMBL9835188

SCHEMBL9835188

CCC1(CC)C(=O)Nc2cc3nn[nH]c3cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.43
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
HTR7 P34969 15/20 0.34
LMNA P02545 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR6 P50406 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
SCHEMBL9834236 0.80 AURKA (0.51) PGRAURKAAURKBPDE4APDE4B
SCHEMBL9832737 0.74 AURKA (0.36) PGRAURKAAURKBPDE4APDE4B
SCHEMBL10560992 0.73 AURKA (0.35) AURKAAURKBPDE4APDE4BPDE4C
SCHEMBL9834204 0.70 AURKA (0.33) AURKAAURKBPDE4APDE4BPDE4C
SCHEMBL9833966 0.70 MAPT (0.40) PGRAURKAAURKBHTR7LMNA
SCHEMBL9832258 0.69 PGR (0.47) PGRHTR7LMNAHTR1ADRD2
SCHEMBL16315854 0.68 PGR (0.56) PGRHTR7LMNA
SCHEMBL9833260 0.68 PGR (0.39) PGRAURKAAURKBPDE4APDE4B
SCHEMBL1696201 0.67 PGR (0.55) PGRLMNA
SCHEMBL9834118 0.67 PGR (0.44) PGRLMNA

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-0257334-B1 TRICYCLIC BENZOTRIAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS Roche Diagnostics GmbH (DE) 1991-01-02 EP disclosed
US-4835167-A Tricyclic benzotriazoles, processes for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1989-05-30 US disclosed
EP-0257334-A2 Tricyclic benzotriazoles, process for their preparation and medicaments Roche Diagnostics GmbH (DE) 1988-03-02 EP disclosed