SCHEMBL17366268

SCHEMBL17366268

COc1cc(I)ccc1OCC1CCO1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 14/20 0.61
ADRA2C P18825 1/20 0.47
DRD2 P14416 1/20 0.41
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP7 Q9BQF6 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
SCHEMBL17366255 0.85 DRD4 (0.46) DRD4ADRA2CRAB9A
SCHEMBL12180342 0.77 PDE10A (0.51) DRD4NPC1CASP3RAB9ASENP7
SCHEMBL15651365 0.76 DRD4 (0.51) DRD4ADRA2CNPC1CASP3RAB9A
SCHEMBL14320514 0.76 DRD4 (0.51) DRD4ADRA2CNPC1CASP3RAB9A
SCHEMBL15651821 0.76 DRD4 (0.51) DRD4ADRA2CNPC1CASP3RAB9A
SCHEMBL20820540 0.75 MAPT (0.50) DRD4NPC1CASP3RAB9ASENP7
SCHEMBL3182576 0.75 DRD4 (0.50) DRD4ADRA2CNPC1CASP3RAB9A
SCHEMBL17811807 0.74 NPC1 (0.44) DRD4ADRA2CNPC1CASP3RAB9A
SCHEMBL11490890 0.73 ADRA2C (0.63) DRD4ADRA2C
SCHEMBL11439070 0.72 KDM4E (0.59)

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
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP disclosed