SCHEMBL11317577

SCHEMBL11317577

CCN(C(=O)CC(C)COc1cccc2c1CCC(=O)N2)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.47
ADRB2 P07550 1/20 0.47
HTR1A P08908 1/20 0.47
OPRK1 P41145 1/20 0.47
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
SCN1A P35498 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL11070251 0.88 ADRB1 (0.44) ADRB1ADRB2HTR1AOPRK1ATM
SCHEMBL11313435 0.85 ATM (0.41) ATML3MBTL1PDE3BPDE3AGAA
SCHEMBL11317555 0.79 ADRB1 (0.58) ADRB1ADRB2HTR1AOPRK1SCN1A
SCHEMBL11359883 0.78 PDE3B (0.48) PDE3BPDE3ASMN1; SMN2ALDH1A1MEN1
SCHEMBL11317207 0.77 PDE3B (0.52) ADRB1ADRB2HTR1AOPRK1L3MBTL1
SCHEMBL11061068 0.76 ADRB2 (0.42) ADRB1ADRB2HTR1AOPRK1PDE3B
SCHEMBL11065568 0.76 ADRB2 (0.42) ADRB1ADRB2HTR1AOPRK1L3MBTL1
SCHEMBL11316229 0.76 PDE3B (0.51) ADRB1ADRB2HTR1AOPRK1PDE3B
SCHEMBL11064885 0.76 ADRB1 (0.44) ADRB1ADRB2HTR1AOPRK1SCN1A
SCHEMBL11062523 0.74 PDE3B (0.49) ADRB1ADRB2HTR1AOPRK1PDE3B

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-4298739-A ANTICOAGULANTS, ANTIINFLAMMATORY, ANTIULCER, VASODILATOR, PHOSPHODIESTERASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-11-03 US disclosed