SCHEMBL7155779

SCHEMBL7155779

CCN1CCC(C(=O)O)(c2ccccc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.53
OPRD1 P41143 6/20 0.53
OPRK1 P41145 6/20 0.53
HDAC4 P56524 2/20 0.46
KDM4E B2RXH2 1/20 0.44
OPRL1 P41146 4/20 0.44
HSD11B1 P28845 2/20 0.44
SLC22A1 O15245 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
Hydrochloric Acid SCHEMBL5729723 0.82 OPRM1 (0.48) OPRM1OPRD1OPRK1HDAC4OPRL1
SCHEMBL31125559 0.81 HDAC4 (0.59) OPRM1OPRD1OPRK1HDAC4OPRL1
SCHEMBL301133 0.81 HDAC4 (0.59) OPRM1OPRD1OPRK1HDAC4OPRL1
SCHEMBL503892 0.80 OPRM1 (0.73) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL31580968 0.80 HDAC4 (0.67) HDAC4
SCHEMBL5637311 0.80 HDAC4 (0.62) OPRM1OPRD1OPRK1HDAC4OPRL1
SCHEMBL30501854 0.80 HDAC4 (0.62) OPRM1OPRD1OPRK1HDAC4OPRL1
SCHEMBL3184587 0.80 HDAC4 (0.67) HDAC4
SCHEMBL8044669 0.79 OPRL1 (0.56) OPRM1OPRD1OPRK1KDM4EOPRL1
SCHEMBL2867660 0.78 HDAC4 (0.65) HDAC4

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
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO disclosed