SCHEMBL7218158

SCHEMBL7218158

CN1C(=O)N(C(=O)N(I)CCCN2CCC(c3ccccn3)CC2)CC1c1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 12/20 0.47
ADRA1D P25100 9/20 0.40
ADRA1B P35368 9/20 0.40
DRD4 P21917 7/20 0.40
OPRM1 P35372 1/20 0.40
DRD2 P14416 5/20 0.39
DRD3 P35462 4/20 0.39

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
SCHEMBL7212047 0.84 ADRA1A (0.60) ADRA1AADRA1DADRA1B
SCHEMBL6962974 0.75 ADRA1A (0.50) ADRA1AADRA1DADRA1BDRD4DRD2
SCHEMBL7962310 0.74 ADRA1A (0.58) ADRA1AADRA1DADRA1B
SCHEMBL8134486 0.72 ADRA1A (0.65) ADRA1AADRA1DADRA1BDRD2
SCHEMBL7959697 0.71 ADRA1A (0.65) ADRA1AADRA1DADRA1BDRD2
SCHEMBL7966238 0.71 ADRA1A (0.63) ADRA1AADRA1DADRA1B
SCHEMBL7966205 0.71 ADRA1A (0.63) ADRA1AADRA1DADRA1B
SCHEMBL7218041 0.71 ADRA1A (0.61) ADRA1AADRA1DADRA1B
SCHEMBL7966207 0.71 ADRA1A (0.63) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7965667 0.70 ADRA1A (0.62) ADRA1AADRA1DADRA1B

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-6620815-B1 Selective antagonists for human alpha 1A receptors; benign prostatic hyperplasia, impotency, cardiac arrhythmia treatment; anticholesterol agents; intraocular pressure reduction SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-16 US disclosed