SCHEMBL9805000

SCHEMBL9805000

CC(=O)c1cncn1C1CCCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.46
HSD11B1 P28845 1/20 0.43
CYP3A4 P08684 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNA7 P36544 1/20 0.40
KDM4C Q9H3R0 3/20 0.39
KDM5A P29375 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
HPGD P15428 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39

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
Nitric Acid SCHEMBL9804816 0.93 CYP11B2 (0.41) CYP11B2HSD11B1CYP3A4IDO1TDO2
SCHEMBL2822478 0.89 CYP11B2 (0.49) CYP11B2HSD11B1CYP3A4IDO1TDO2
SCHEMBL10646410 0.88 CYP11B2 (0.45) CYP11B2HSD11B1CYP3A4IDO1TDO2
SCHEMBL2817700 0.87 CYP11B2 (0.43) CYP11B2HSD11B1TAS1R3TAS1R1TAS1R2
SCHEMBL10483522 0.87 CYP11B2 (0.43) CYP11B2HSD11B1TAS1R3TAS1R1TAS1R2
SCHEMBL9493435 0.87 CYP11B2 (0.43) CYP11B2HSD11B1TAS1R3TAS1R1TAS1R2
SCHEMBL9493247 0.87 CYP11B2 (0.43) CYP11B2HSD11B1TAS1R3TAS1R1TAS1R2
SCHEMBL9804994 0.87 CYP11B2 (0.46) CYP11B2HSD11B1CYP3A4IDO1TDO2
SCHEMBL2820351 0.86 CYP11B2 (0.41) CYP11B2HSD11B1CYP3A4IDO1TDO2
SCHEMBL2820997 0.86 CYP11B2 (0.41) CYP11B2HSD11B1CYP3A4IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4878940-A SELECTIVE, FOR USE WITH CROPS JANSSEN PHARMACEUTICA N.V. (BE) 1989-11-07 US claimed
EP-0289066-A1 1,5-Substituted 1H-imidazoles JANSSEN PHARMACEUTICA N.V. (BE) 1988-11-02 EP claimed
US-4994103-A Herbicides; rice, corn JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-19 US disclosed
US-4878940-A SELECTIVE, FOR USE WITH CROPS JANSSEN PHARMACEUTICA N.V. (BE) 1989-11-07 US disclosed
EP-0289066-A1 1,5-Substituted 1H-imidazoles JANSSEN PHARMACEUTICA N.V. (BE) 1988-11-02 EP disclosed