SCHEMBL11061677

SCHEMBL11061677

CCN(C(=O)CCCOc1cccc2c1CCC(=O)N2)c1ccoc1

nearest known ligand 0.41

Predicted protein targets (top 11)

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
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
DRD2 P14416 3/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL11319811 0.88 PDE3B (0.49) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11069685 0.82 ADRB2 (0.41) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11601503 0.77 DRD2 (0.52) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11287374 0.76 MAPK1 (0.56) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11061177 0.76 PDE3B (0.43) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11319220 0.75 ADRB1 (0.51) ADRB2ADRB1HTR1AOPRK1DRD2
SCHEMBL11065568 0.75 ADRB2 (0.42) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11316229 0.75 PDE3B (0.51) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11065776 0.75 ADRB2 (0.40) ADRB2ADRB1HTR1AOPRK1PDE3B
SCHEMBL11064451 0.74 ADRB2 (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