SCHEMBL7077835

SCHEMBL7077835

COc1cccc2c1C=C(CC(N)CN)CC2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.38
BCHE P06276 5/20 0.36
HTR2A P28223 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 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
SCHEMBL6951348 0.82 SCN4A (0.31)
SCHEMBL6955284 0.79 ADRA2A (0.46)
SCHEMBL6957278 0.79 ADRA2A (0.46)
SCHEMBL6957840 0.72 RXRB (0.41) ACHEBCHE
SCHEMBL6960771 0.72 HTR2A (0.42) ACHEHTR2ADRD2DRD3
SCHEMBL6954590 0.72 HTR2A (0.42) ACHEHTR2ADRD2DRD3
SCHEMBL8970487 0.71 ACHE (0.37) ACHEBCHE
SCHEMBL6958705 0.70 CYP11B2 (0.41) HTR2ADRD2DRD3
SCHEMBL7056142 0.70 HTR2A (0.40) ACHEBCHEHTR2ADRD2DRD3
SCHEMBL8097787 0.68 TSHR (0.40) ACHEBCHE

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