SCHEMBL2124155

SCHEMBL2124155

O=CC(OC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(c2ccc(C(F)F)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.37
TMEM97 Q5BJF2 6/20 0.34
PANK3 Q9H999 2/20 0.33
SIRT6 Q8N6T7 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
AR P10275 3/20 0.33
CES2 O00748 1/20 0.33
ABCB11 O95342 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 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
SCHEMBL2126360 0.92 SERPINE1 (0.45) SERPINE1PANK3ALDH1A1LMNAHTT
SCHEMBL2125848 0.91 SERPINE1 (0.37) SERPINE1TMEM97PANK3SIRT6HDAC3
SCHEMBL2127741 0.90 PANK3 (0.34) SERPINE1PANK3ALDH1A1LMNACYP1A2
SCHEMBL2128389 0.85 SERPINE1 (0.45) SERPINE1PANK3ALDH1A1LMNAHTT
SCHEMBL2126718 0.85 CCNC (0.40) TMEM97SIRT6HDAC3HDAC1HDAC2
SCHEMBL2125553 0.85 SERPINE1 (0.36) SERPINE1TMEM97PANK3SIRT6HDAC3
SCHEMBL15740360 0.85 TMEM97 (0.36) TMEM97SIRT6ARCES2ABCB11
SCHEMBL15740495 0.83 HRH3 (0.34) TMEM97SIRT6ARCES2ABCB11
SCHEMBL15740426 0.83 HRH3 (0.42) SERPINE1TMEM97SIRT6MAPK1HRH3
SCHEMBL15740411 0.83 HRH3 (0.37) TMEM97SIRT6ARCES2ABCB11

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-2443091-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-04-25 EP disclosed
WO-2010146083-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-12-23 WO disclosed