SCHEMBL11601503

SCHEMBL11601503

CCOC(=O)CCCOc1cccc2c1CCC(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.52
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
HTR1A P08908 1/20 0.49
OPRK1 P41145 1/20 0.49
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
P2RY12 Q9H244 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL11289663 0.97 DRD2 (0.51) DRD2ADRB2ADRB1HTR1AOPRK1
SCHEMBL11287055 0.89 ADRB2 (0.47) DRD2ADRB2ADRB1HTR1AOPRK1
SCHEMBL11292144 0.87 ADRB2 (0.52) DRD2ADRB2ADRB1HTR1AOPRK1
SCHEMBL11319220 0.84 ADRB1 (0.51) DRD2ADRB2ADRB1HTR1AOPRK1
SCHEMBL18072426 0.82 ADRB2 (0.54) DRD2ADRB2ADRB1HTR1AOPRK1
SCHEMBL11601496 0.81 ADRB2 (0.44) DRD2ADRB2ADRB1HTR1AOPRK1
SCHEMBL1764193 0.81 ADRB2 (0.57) DRD2ADRB2ADRB1HTR1AOPRK1
SCHEMBL11319811 0.81 PDE3B (0.49) DRD2ADRB2ADRB1HTR1AOPRK1
SCHEMBL11479869 0.81 ADRB2 (0.50) DRD2ADRB2ADRB1HTR1AOPRK1
SCHEMBL11281507 0.80 ADRB1 (0.52) DRD2ADRB2ADRB1HTR1AOPRK1

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-4070470-A BENCYCLOAMIDE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JA) 1978-01-24 US claimed