SCHEMBL11380697

SCHEMBL11380697

Cc1cccc(OCC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.68
ADRB1 P08588 11/20 0.68
ADRB2 P07550 10/20 0.68
DRD4 P21917 1/20 0.51

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
Hydrochloric Acid SCHEMBL11261798 0.90 ADRB3 (0.76) ADRB3ADRB1ADRB2DRD4
SCHEMBL11372455 0.83 GAA (0.49) ADRB3ADRB1ADRB2
SCHEMBL11544863 0.83 GAA (0.51) ADRB3ADRB1ADRB2DRD4
SCHEMBL11543042 0.82 HTR1A (0.62) ADRB3ADRB1ADRB2DRD4
Hydrochloric Acid SCHEMBL11374081 0.82 KMT2A (0.50) ADRB3ADRB1ADRB2
SCHEMBL11541942 0.81 GAA (0.51) ADRB3ADRB1ADRB2DRD4
Hydrochloric Acid SCHEMBL11245484 0.80 ADRB3 (0.67) ADRB3ADRB1ADRB2DRD4
SCHEMBL11240124 0.80 KMT2A (0.53) DRD4
SCHEMBL2983464 0.80 ADRB3 (0.74) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL11544827 0.79 KMT2A (0.55) DRD4

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-4288442-A Inhibiting adrenergic β-receptors with piperidinopropyl derivatives BOEHRINGER MANNHEIM GMBH (DE) 1981-09-08 US claimed