SCHEMBL6958705

SCHEMBL6958705

COc1ccc2c(c1)C=C(CC(N)CN)CC2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.41
ALOX5 P09917 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2A P28223 1/20 0.35
BCL2 P10415 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL6952820 0.82 ADRA2A (0.30) ADRA2A
SCHEMBL6954716 0.79 ADRA2A (0.46) ADRA2A
SCHEMBL6958671 0.77 HTR2A (0.34) ADRA2AHTR2A
SCHEMBL6954590 0.75 HTR2A (0.42) CYP11B2ADRA2AHTR2ADRD2DRD3
SCHEMBL6960771 0.75 HTR2A (0.42) CYP11B2ADRA2AHTR2ADRD2DRD3
SCHEMBL8533789 0.74 CYP11B2 (0.45) CYP11B2ALOX5BCL2DRD2DRD3
SCHEMBL6955673 0.73 MCHR1 (0.34)
SCHEMBL11282142 0.73 CYP11B2 (0.44) CYP11B2BCL2DRD2DRD3CYP11B1
SCHEMBL6949352 0.72 AKR1C2 (0.47) CYP11B2ALOX5
SCHEMBL7305935 0.71 MTNR1A (0.43) CYP11B2ALOX5CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1010693-B1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-09-24 EP disclosed
US-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed