SCHEMBL7944470

SCHEMBL7944470

COC(=O)C1=C(C)N=C(C)N(CCCCBr)C1c1ccc(F)c(F)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.68
ADRA1A P35348 20/20 0.68
ADRA1B P35368 20/20 0.68

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
SCHEMBL6199928 0.99 ADRA1D (0.69) ADRA1DADRA1AADRA1B
SCHEMBL6197192 0.89 ADRA1D (0.69) ADRA1DADRA1AADRA1B
SCHEMBL6196594 0.88 ADRA1D (0.65) ADRA1DADRA1AADRA1B
SCHEMBL7526989 0.88 ADRA1D (0.65) ADRA1DADRA1AADRA1B
SCHEMBL6787658 0.88 ADRA1D (0.65) ADRA1DADRA1AADRA1B
SCHEMBL7530647 0.88 ADRA1D (0.65) ADRA1DADRA1AADRA1B
SCHEMBL6787653 0.88 ADRA1D (0.65) ADRA1DADRA1AADRA1B
SCHEMBL6787652 0.88 ADRA1D (0.65) ADRA1DADRA1AADRA1B
SCHEMBL6196032 0.84 ADRA1D (0.66) ADRA1DADRA1AADRA1B
SCHEMBL6198895 0.82 ADRA1D (0.68) ADRA1DADRA1AADRA1B

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-6228861-B1 BENIGN PROSTATIC HYPERPLASIA; ANTICHOLESTEROL AGENTS; IMPOTENCY; INTRAOCULAR PRESSURE; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-08 US disclosed
US-6172066-B1 HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-01-09 US disclosed