SCHEMBL7674551

SCHEMBL7674551

O=C1OCCN1C(=O)N(CCCN1CCC2(CC1)c1ccccc1[S+]([O-])c1ccccc12)c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 17/20 0.41
MCHR1 Q99705 11/20 0.41
ADRA1D P25100 7/20 0.35
ADRA1B P35368 7/20 0.35
FAAH O00519 1/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL7675324 0.89 ADRA1A (0.44) ADRA1AMCHR1ADRA1DADRA1B
SCHEMBL7675275 0.88 ADRA1A (0.43) ADRA1AMCHR1ADRA1DADRA1BFAAH
SCHEMBL7676403 0.87 ADRA1A (0.42) ADRA1AMCHR1ADRA1DADRA1BFAAH
SCHEMBL7675243 0.86 ADRA1A (0.42) ADRA1AMCHR1ADRA1DADRA1BFAAH
SCHEMBL7675363 0.85 MCHR1 (0.41) ADRA1AMCHR1ADRA1DADRA1B
SCHEMBL7672602 0.84 MCHR1 (0.40) ADRA1AMCHR1ADRA1DADRA1B
SCHEMBL7675282 0.84 ADRA1A (0.40) ADRA1AMCHR1ADRA1DADRA1B
SCHEMBL7675860 0.83 ADRA1A (0.40) ADRA1AMCHR1ADRA1DADRA1BNAAA
SCHEMBL7681624 0.82 ADRA1A (0.38) ADRA1AMCHR1ADRA1DADRA1BNAAA
SCHEMBL7678334 0.82 ADRA1A (0.37) ADRA1AMCHR1ADRA1DADRA1BNAAA

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-6387893-B1 ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA MERCK & CO., INC. 2002-05-14 US disclosed