SCHEMBL299802

SCHEMBL299802

CC(c1cc(C(F)(F)F)nn1N1CCCCC1)C(C(N)=O)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.43
OGA O60502 5/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
EDNRA P25101 2/20 0.38
TACR1 P25103 1/20 0.37
P4HB P07237 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL288038 0.76 TRPV1 (0.68) TRPV1
SCHEMBL300262 0.72 EDNRA (0.42) TRPV1OGAEDNRA
SCHEMBL300327 0.69 TRPV1 (0.41) TRPV1OGAEDNRA
SCHEMBL5717640 0.65 PTGS2 (0.59) OGAALDH1A1EDNRA
SCHEMBL24893823 0.65 PTGS1 (0.52) OGAALDH1A1
SCHEMBL24893797 0.65 PTGS1 (0.52) OGAALDH1A1
SCHEMBL24893808 0.65 PTGS1 (0.52) OGAALDH1A1
SCHEMBL5191011 0.64 MME (0.55) ALDH1A1EDNRA
SCHEMBL8479189 0.64 EDNRB (0.52) TRPV1EDNRA
SCHEMBL8035766 0.63 PTGS1 (0.59) OGAKDM4EALDH1A1MCL1L3MBTL1

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-2427436-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-03-14 EP disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 WO disclosed