SCHEMBL7270986

SCHEMBL7270986

Oc1ccc2c(c1O)CCC(NCCCCCCCCNCCc1ccccc1)C2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.65
ADRA1D P25100 1/20 0.65
ADRA1B P35368 1/20 0.65
GRIN2B Q13224 11/20 0.54
SIGMAR1 Q99720 4/20 0.52
DRD3 P35462 2/20 0.48
ADRB2 P07550 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
PTGS2 P35354 1/20 0.48
HRH1 P35367 1/20 0.48
OPRK1 P41145 1/20 0.48
SLC6A3 Q01959 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL7270896 1.00 ADRA1A (0.65) ADRA1AADRA1DADRA1BGRIN2BSIGMAR1
Bromide SCHEMBL7271982 0.99 ADRA1A (0.64) ADRA1AADRA1DADRA1BGRIN2BSIGMAR1
Bromide SCHEMBL9792055 0.99 ADRA1A (0.64) ADRA1AADRA1DADRA1BGRIN2BSIGMAR1
SCHEMBL7281491 0.99 ADRA1A (0.63) ADRA1AADRA1DADRA1BGRIN2BSIGMAR1
Bromide SCHEMBL7272021 0.98 ADRA1A (0.62) ADRA1AADRA1DADRA1BGRIN2BSIGMAR1
SCHEMBL7281396 0.88 ADRA1A (0.59) ADRA1AADRA1DADRA1BGRIN2BDRD3
SCHEMBL7278426 0.88 ADRA1A (0.59) ADRA1AADRA1DADRA1BGRIN2BDRD3
SCHEMBL7272848 0.88 DRD2 (0.60) ADRA1AADRA1DADRA1BGRIN2BSIGMAR1
Bromide SCHEMBL7277713 0.87 ADRA1A (0.58) ADRA1AADRA1DADRA1BGRIN2BDRD3
Bromide SCHEMBL7272342 0.87 ADRA1A (0.58) ADRA1AADRA1DADRA1BGRIN2BDRD3

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
EP-0072061-A1 Amine derivatives, processes for their production and pharmaceutical compositions containing them FISONS plc (GB) 1983-02-16 EP claimed