SCHEMBL8555364

SCHEMBL8555364

O=C1[N]c2c(cc(Br)cc2C(F)(F)F)NC1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.32
EPRS1 P07814 1/20 0.31
TGM2 P21980 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL8130792 0.83 JUN (0.37) HCAR1
SCHEMBL8127651 0.81 HTR2A (0.31)
SCHEMBL7347442 0.81 CES1 (0.38) HCAR1TGM2CES1
SCHEMBL8124478 0.79
SCHEMBL8114995 0.79
SCHEMBL8557193 0.78 HTR6 (0.35) TGM2CES1
SCHEMBL8120881 0.77 ALDH1A1 (0.39)
SCHEMBL8120381 0.76
SCHEMBL8555061 0.75 JUN (0.34)
SCHEMBL8124575 0.75 ABCC8 (0.33)

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-0647137-A4 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF. UNIV CALIFORNIA WEBER ECKARD (US) 1998-09-16 EP disclosed
EP-0647137-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-12 EP disclosed