SCHEMBL8084748

SCHEMBL8084748

COc1ccc2c(c1)C=C(CC1CNC(OC(=O)/C=C/C(=O)OC3=NC(CC4=Cc5cc(OC)ccc5CC4)CN3)=N1)CC2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.39
CYP11B1 P15538 3/20 0.33
ADRA2A P08913 1/20 0.32
MTNR1A P48039 4/20 0.32
CYP19A1 P11511 6/20 0.31
NQO2 P16083 2/20 0.31
MTNR1B P49286 2/20 0.31
ALOX5 P09917 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
SCHEMBL8093366 0.88 ADRA2A (0.33) ADRA2A
SCHEMBL8092401 0.83 ADRA2A (0.43) CYP11B2CYP11B1ADRA2ACYP19A1
SCHEMBL8091875 0.83 ADRA2A (0.43) CYP11B2CYP11B1ADRA2ACYP19A1
SCHEMBL8085006 0.83 ADRA2A (0.43) CYP11B2CYP11B1ADRA2ACYP19A1
SCHEMBL8090880 0.82 MCHR1 (0.32)
Fumaric Acid SCHEMBL8084750 0.77 CYP11B2 (0.37) CYP11B2CYP11B1ADRA2AMTNR1ACYP19A1
Fumaric Acid SCHEMBL8084745 0.77 CYP11B2 (0.37) CYP11B2CYP11B1ADRA2AMTNR1ACYP19A1
SCHEMBL8092828 0.76 ADRA2A (0.33) ADRA2A
SCHEMBL6958856 0.73 CYP11B2 (0.40) CYP11B2CYP11B1ADRA2ACYP19A1
SCHEMBL6949352 0.69 AKR1C2 (0.47) CYP11B2MTNR1AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed