SCHEMBL11065776

SCHEMBL11065776

CCN(CC1CCOCC1)C(=O)CCCOc1cccc2c1CCC(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
OPRK1 P41145 1/20 0.40
S1PR5 Q9H228 1/20 0.39
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
NPC1 O15118 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 3/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN1A P35498 1/20 0.33

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 0.90 ADRB2 (0.41) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11062582 0.87 ADRB2 (0.40) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11058444 0.81 PDE3B (0.42) ADRB2ADRB1HTR1AOPRK1S1PR5
SCHEMBL11287374 0.81 MAPK1 (0.56) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11063209 0.79 PDE3B (0.40) ADRB2ADRB1HTR1AOPRK1S1PR5
SCHEMBL11065939 0.78 TRPM8 (0.44) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11069685 0.77 ADRB2 (0.41) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11316229 0.77 PDE3B (0.51) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11065568 0.77 ADRB2 (0.42) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11064570 0.77 TRPM8 (0.43) 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