SCHEMBL7678945

SCHEMBL7678945

O=C1OCC(c2ccc(F)c(F)c2)N1CCCCBr

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.34
QPCT Q16769 5/20 0.32
ADRA1A P35348 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
SCD5 Q86SK9 1/20 0.32

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
SCHEMBL7678949 1.00 MTOR (0.34) MTORQPCTADRA1AGRIN1GRIN2B
SCHEMBL7673189 0.99 MTOR (0.34) MTORQPCTADRA1AGRIN1GRIN2B
SCHEMBL7678845 0.99 MTOR (0.34) MTORQPCTADRA1AGRIN1GRIN2B
SCHEMBL7678848 0.99 MTOR (0.34) MTORQPCTADRA1AGRIN1GRIN2B
SCHEMBL5663717 0.99 MTOR (0.34) MTORQPCTADRA1AGRIN1GRIN2B
SCHEMBL5663243 0.86 MTOR (0.35) MTORQPCTADRA1A
SCHEMBL5661778 0.86 MTOR (0.35) MTORQPCTADRA1A
SCHEMBL4007238 0.76 GLS (0.43) SCD5
SCHEMBL10308940 0.76 MTOR (0.38) MTORQPCT
SCHEMBL8168600 0.76 MTOR (0.38) MTORQPCT

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