SCHEMBL11065568

SCHEMBL11065568

CCN(C(=O)CCCOc1cccc2c1CCC(=O)N2)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
OPRK1 P41145 1/20 0.42
PDE3B Q13370 4/20 0.41
PDE3A Q14432 4/20 0.41
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
KCNH2 Q12809 1/20 0.39
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TACR1 P25103 1/20 0.35

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
SCHEMBL11062524 0.85 ADRB2 (0.41) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11068086 0.83 PDE3B (0.42) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11062582 0.82 ADRB2 (0.40) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11062523 0.81 PDE3B (0.49) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11316229 0.81 PDE3B (0.51) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11071217 0.81 PDE3B (0.48) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11067928 0.81 PDE3B (0.48) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11320635 0.80 PDE3B (0.64) PDE3BPDE3A
SCHEMBL11067882 0.80 ADRB2 (0.41) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11058328 0.80 PDE3B (0.49) ADRB2ADRB1HTR1AOPRK1PDE3B

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-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed