SCHEMBL13158282

SCHEMBL13158282

O=C(CCN1CCC(c2ccc(C(F)(F)F)cc2)CC1)N1CCC(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.42
ENPP2 Q13822 3/20 0.40
ADRB2 P07550 1/20 0.40
EPHX2 P34913 1/20 0.39
TMEM97 Q5BJF2 3/20 0.38
STAT3 P40763 1/20 0.37
P2RY14 Q15391 2/20 0.37
SERPINE1 P05121 1/20 0.37
CA2 P00918 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL12042819 0.94 LIPE (0.39) LIPEENPP2ADRB2TMEM97STAT3
SCHEMBL12042770 0.93 TMEM97 (0.38) LIPEEPHX2TMEM97
SCHEMBL13158283 0.93 MCHR1 (0.39) EPHX2TMEM97
SCHEMBL12042799 0.93 DRD2 (0.41) LIPEEPHX2TMEM97
SCHEMBL9984310 0.91 TMEM97 (0.42) LIPEEPHX2TMEM97
SCHEMBL12042816 0.91 TMEM97 (0.42) LIPEEPHX2TMEM97
SCHEMBL12042808 0.90 TMEM97 (0.37) LIPETMEM97
SCHEMBL12042811 0.90 LMNA (0.40) LIPEEPHX2TMEM97
SCHEMBL12059663 0.90 LIPE (0.42) LIPEENPP2ADRB2EPHX2STAT3
SCHEMBL15996851 0.89 LIPE (0.43) LIPEADRB2EPHX2P2RY14CA2

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
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO disclosed