SCHEMBL4633441

SCHEMBL4633441

CCc1[nH]nc(O)c1Cc1ccc(C)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.40
HCAR2 Q8TDS4 2/20 0.35
TTR P02766 1/20 0.32
HCAR3 P49019 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
SCHEMBL3769291 0.84 P2RX7 (0.40) P2RX7
SCHEMBL19887751 0.69 P2RX7 (0.40) P2RX7
SCHEMBL19887771 0.69 P2RX7 (0.40) P2RX7
SCHEMBL3762637 0.69 P2RX7 (0.37) P2RX7TTR
SCHEMBL8190076 0.67 P2RX7 (0.39) P2RX7
SCHEMBL4632389 0.67 TAAR1 (0.41) P2RX7HCAR2TTR
SCHEMBL4633267 0.66 DBH (0.34) P2RX7HCAR2TTR
SCHEMBL10335750 0.65 P2RX7 (0.37) P2RX7
SCHEMBL12646239 0.65 SLC5A2 (0.36)
SCHEMBL12810062 0.64 P2RX7 (0.33) P2RX7

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-1912656-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2008-04-23 EP disclosed
WO-2007014895-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 WO disclosed