SCHEMBL7756328

SCHEMBL7756328

CCCOCc1ccc(O)c(CCCc2cccc(N(C(C)C)C(C)C)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
ADRB2 P07550 4/20 0.33
ADRB1 P08588 4/20 0.33
ADRB3 P13945 4/20 0.33
BCHE P06276 1/20 0.33
BACE1 P56817 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL7755087 0.95 ADRB2 (0.35) ALOX5ADRB2ADRB1ADRB3
SCHEMBL7758297 0.91 BACE1 (0.34) ALOX5BCHEBACE1
SCHEMBL4190007 0.83 BACE1 (0.40) ALOX5BCHEBACE1
SCHEMBL722594 0.83 IGF1R (0.36) ALOX5ADRB2ADRB1ADRB3BCHE
SCHEMBL11296010 0.83 ALDH1A1 (0.38) ALOX5BACE1
SCHEMBL11300811 0.82 IGF1R (0.35) ALOX5BCHEBACE1
SCHEMBL7758292 0.80 SLC6A2 (0.42)
SCHEMBL15541962 0.80 APP (0.37) ALOX5
SCHEMBL3721174 0.79 IGF1R (0.39)
SCHEMBL15541469 0.79 TRPV1 (0.34) ALOX5ADRB2ADRB1ADRB3

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
EP-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 WO disclosed