SCHEMBL7965697

SCHEMBL7965697

COC(=O)C1(c2ccccc2)CCN(CCCc2ccccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.57
ADRA1D P25100 7/20 0.55
ADRA1A P35348 7/20 0.55
ADRA1B P35368 5/20 0.54
OPRM1 P35372 3/20 0.48
OPRD1 P41143 3/20 0.48
OPRK1 P41145 3/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL6196008 0.80 ADRA1D (0.62) KCNA3ADRA1DADRA1AADRA1BOPRM1
SCHEMBL11567071 0.78 CA12 (0.48) ADRA1DADRA1AADRA1BOPRM1OPRD1
SCHEMBL6961790 0.78 KCNA3 (0.63) KCNA3ADRA1DADRA1AADRA1BOPRM1
SCHEMBL7965695 0.77 ADRA1D (0.61) KCNA3ADRA1DADRA1AADRA1BOPRM1
SCHEMBL8416982 0.75 KCNA3 (0.51) KCNA3ADRA1AOPRM1OPRD1OPRK1
SCHEMBL14534189 0.74 OPRM1 (0.71) KCNA3ADRA1DADRA1AADRA1BOPRM1
SCHEMBL7083719 0.74 POLB (0.56)
SCHEMBL6746046 0.74 KDM4E (0.60) KCNA3ADRA1DADRA1AADRA1BOPRM1
Hydrochloric Acid SCHEMBL8419906 0.73 SIGMAR1 (0.41) ADRA1DADRA1AADRA1BOPRM1GAA
SCHEMBL7313939 0.73 KCNA3 (1.00) KCNA3ADRA1AOPRM1OPRD1OPRK1

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-6268369-B1 ALPHA SUB 1 INHIBITORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-07-31 US disclosed