SCHEMBL7991592

SCHEMBL7991592

COC(=O)C1=C(C)NCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)C1c1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.43
ADRA1A P35348 6/20 0.43
ADRA1B P35368 6/20 0.43
CACNA1F O60840 2/20 0.42
CACNA1D Q01668 2/20 0.42
CACNA1S Q13698 2/20 0.42
CACNA1C Q13936 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 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
SCHEMBL6193641 0.83 ADRA1D (0.54) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL7162576 0.83 ADRA1D (0.54) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL7386606 0.78 FAAH (0.43) CACNA1FCACNA1DCACNA1SCACNA1CMAPT
SCHEMBL6196041 0.78 ALDH1A1 (0.41) ADRA1DADRA1AADRA1BADORA3LMNA
SCHEMBL6194063 0.76 CACNA1F (0.41) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6196834 0.75 ADRA1D (0.51) ADRA1DADRA1AADRA1B
SCHEMBL8577372 0.75 ADORA3 (0.41) ADRA1DADRA1AADRA1BADORA3LMNA
SCHEMBL7747394 0.75 ADORA3 (0.41) ADRA1DADRA1AADRA1BADORA3LMNA
SCHEMBL7674379 0.75 ADRA1D (0.51) ADRA1DADRA1AADRA1B
SCHEMBL6198625 0.75 ADRA1D (0.45) ADRA1DADRA1AADRA1BCACNA1FCACNA1D

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-6228861-B1 BENIGN PROSTATIC HYPERPLASIA; ANTICHOLESTEROL AGENTS; IMPOTENCY; INTRAOCULAR PRESSURE; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-08 US disclosed