SCHEMBL7216969

SCHEMBL7216969

C[C@@H](CN1CCC(C#N)(c2ccccc2)CC1)CN1C(=O)N(C(N)=O)CC1c1ccc(F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 18/20 0.55
ADRA1D P25100 16/20 0.55
ADRA1B P35368 16/20 0.55
HRH1 P35367 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
OPRD1 P41143 1/20 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
SCHEMBL7216965 0.77 ADRA1A (0.57) ADRA1AADRA1DADRA1BHRH1
SCHEMBL7084868 0.77 ADRA1A (0.57) ADRA1AADRA1DADRA1BHRH1
SCHEMBL7080203 0.75 ADRA1A (0.52) ADRA1AADRA1DADRA1BHRH1
SCHEMBL7530623 0.72 ADRA1D (0.80) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7141672 0.71 ADRA1A (0.49) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL6963522 0.68 OPRM1 (0.58) ADRA1AADRA1DADRA1BOPRD1
SCHEMBL6963525 0.68 OPRM1 (0.58) ADRA1AADRA1DADRA1BOPRD1
SCHEMBL6955080 0.68 OPRD1 (0.60) ADRA1AADRA1DADRA1BOPRD1
SCHEMBL6955083 0.68 OPRD1 (0.60) ADRA1AADRA1DADRA1BOPRD1
SCHEMBL6966550 0.67 ADRA1A (0.51) ADRA1AADRA1DADRA1BHRH1

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 2 patents. 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
US-6159990-A Oxazolidinones as α1A receptor antagonists SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed