SCHEMBL9800172

SCHEMBL9800172

CCC(C)C(=O)NCc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(CNC(=O)C(C)CC)c2F)c1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.33
SLC1A2 P43004 1/20 0.33
TSHR P16473 1/20 0.32
TRPV1 Q8NER1 3/20 0.32
PTGES O14684 4/20 0.31

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
SCHEMBL2839182 0.84 P2RX7 (0.34) P2RX7
SCHEMBL482840 0.83 KDM4E (0.39)
SCHEMBL9800185 0.82 SMN1; SMN2 (0.34) P2RX7TSHR
SCHEMBL15283391 0.79 RIPK1 (0.40) P2RX7
SCHEMBL9800082 0.78 RAB9A (0.44) P2RX7
SCHEMBL9800135 0.78 RIPK1 (0.38) P2RX7
SCHEMBL2834282 0.76 MTNR1A (0.35)
SCHEMBL9800152 0.75 MTNR1A (0.35) TRPV1
SCHEMBL9800043 0.75 MC4R (0.31)
SCHEMBL483181 0.75 NPC1 (0.40)

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
US-5068371-A Photoinitiators for polymerization CIBA-GEIGY CORPORATION (US) 1991-11-26 US disclosed