SCHEMBL7679689

SCHEMBL7679689

O=C1OC[C@H](c2ccc(F)c(F)c2)N1CCCCCN1CCC2(CC1)c1ccccc1-c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 13/20 0.43
ADRA1A P35348 13/20 0.43
ADRA1B P35368 13/20 0.43
OPRL1 P41146 1/20 0.36

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
SCHEMBL7675111 1.00 ADRA1D (0.43) ADRA1DADRA1AADRA1BOPRL1
SCHEMBL7679189 1.00 ADRA1D (0.43) ADRA1DADRA1AADRA1BOPRL1
SCHEMBL7673398 0.92 ADRA1A (0.41) ADRA1DADRA1AADRA1B
SCHEMBL7748936 0.77 CCR2 (0.43) ADRA1DADRA1AADRA1B
SCHEMBL5663717 0.77 MTOR (0.34) ADRA1DADRA1AADRA1B
SCHEMBL7673189 0.77 MTOR (0.34) ADRA1DADRA1AADRA1B
SCHEMBL7678848 0.77 MTOR (0.34) ADRA1DADRA1AADRA1B
SCHEMBL7678845 0.77 MTOR (0.34) ADRA1DADRA1AADRA1B
SCHEMBL5663243 0.77 MTOR (0.35) ADRA1A
SCHEMBL5661778 0.77 MTOR (0.35) ADRA1A

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