SCHEMBL7822809

SCHEMBL7822809

O=CNCC(CCCCO)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.37
CCR1 P32246 2/20 0.37
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH7 P40394 1/20 0.37
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 2/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 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
SCHEMBL7823386 0.98 ADH1B (0.38) CCR3CCR1ADH1BADH1CADH1A
SCHEMBL8893131 0.93 CCR1 (0.35) CCR3CCR1ADH1BADH1CADH1A
SCHEMBL7816549 0.90 CCR3 (0.45) CCR3CCR1MAPK1LMNAHTT
SCHEMBL8315609 0.89 ADH1B (0.40) CCR3CCR1ADH1BADH1CADH1A
SCHEMBL7824381 0.87 KIF11 (0.43) CCR3CCR1ALDH1A1LMNAPOLB
SCHEMBL8892870 0.84 CCR1 (0.37) CCR3CCR1ADH1BADH1CADH1A
SCHEMBL7832303 0.84 CCR1 (0.37) CCR3CCR1ADH1BADH1CADH1A
SCHEMBL7827162 0.84 ADH1B (0.37) ADH1BADH1CADH1AADH7CHRM2
SCHEMBL8892088 0.84 KIF11 (0.35) CCR3CCR1ADH1BADH1CADH1A
SCHEMBL7825245 0.83 CCR3 (0.39) CCR3CCR1ALDH1A1LMNAPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712845-B1 Amine compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-10-17 EP disclosed
WO-1997024325-A1 DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed
US-5633248-A GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS, DIARYLALKYLIDENEDIAMINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-27 US disclosed
EP-0712845-A1 Amine compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-22 EP disclosed