SCHEMBL11069685

SCHEMBL11069685

CCN(CCc1ccoc1)C(=O)CCCOc1cccc2c1CCC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
OPRK1 P41145 1/20 0.41
DRD2 P14416 3/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
NPC1 O15118 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
MAOA P21397 1/20 0.32

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
SCHEMBL11061677 0.82 ADRB2 (0.41) ADRB2ADRB1HTR1AOPRK1DRD2
SCHEMBL11287374 0.81 MAPK1 (0.56) ADRB2ADRB1HTR1AOPRK1DRD2
SCHEMBL11068361 0.79 DRD2 (0.45) ADRB2ADRB1HTR1AOPRK1DRD2
SCHEMBL11064570 0.77 TRPM8 (0.43) ADRB2ADRB1HTR1AOPRK1DRD2
SCHEMBL11065776 0.77 ADRB2 (0.40) ADRB2ADRB1HTR1AOPRK1DRD2
SCHEMBL11064862 0.77 MAPT (0.43) ADRB2ADRB1HTR1AOPRK1
SCHEMBL11063084 0.76 MAPT (0.41) ADRB2ADRB1HTR1AOPRK1
SCHEMBL11062524 0.76 ADRB2 (0.41) ADRB2ADRB1HTR1AOPRK1DRD2
SCHEMBL11065939 0.76 TRPM8 (0.44) ADRB2ADRB1HTR1AOPRK1DRD2
SCHEMBL11067557 0.75 ADRB2 (0.39) ADRB2ADRB1HTR1AOPRK1DRD2

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