SCHEMBL6958856

SCHEMBL6958856

COc1ccc2c(c1)C=C(CC1CNC=N1)CC2

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.40
ADRA2A P08913 2/20 0.40
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
CYP19A1 P11511 4/20 0.35
CYP11B1 P15538 2/20 0.34

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
Fumaric Acid SCHEMBL8084745 0.91 CYP11B2 (0.37) CYP11B2ADRA2AHTR2CHTR2AHTR2B
Fumaric Acid SCHEMBL8084750 0.91 CYP11B2 (0.37) CYP11B2ADRA2AHTR2CHTR2AHTR2B
SCHEMBL6954207 0.81 ADRA2A (0.59) ADRA2AHTR2CHTR2A
SCHEMBL6949362 0.78 ADRA2A (0.56) ADRA2AHTR2CHTR2AHTR2B
SCHEMBL6958891 0.78 ADRA2A (0.56) ADRA2AHTR2CHTR2AHTR2B
SCHEMBL6949759 0.78 ADRA2A (0.56) ADRA2AHTR2CHTR2AHTR2B
SCHEMBL6960180 0.77 ADRA2A (0.37) ADRA2A
Fumaric Acid SCHEMBL8093365 0.76 ADRA2A (0.36) ADRA2A
Fumaric Acid SCHEMBL8093372 0.76 ADRA2A (0.36) ADRA2A
SCHEMBL6952658 0.74 ADRA2A (0.40) ADRA2ACYP19A1

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
EP-1010693-A1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed