SCHEMBL9800176

SCHEMBL9800176

CCC(=O)N(CC)Cc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(CN(CC)C(=O)CC)c2F)c1F

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
RIPK1 Q13546 1/20 0.32

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
SCHEMBL9800134 0.85 ALOX5 (0.34) SMN1; SMN2
SCHEMBL482898 0.80
SCHEMBL9800261 0.76 RIPK1 (0.37) RIPK1
SCHEMBL2834282 0.76 MTNR1A (0.35)
SCHEMBL9800270 0.75
SCHEMBL9800185 0.75 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL2839182 0.74 P2RX7 (0.34)
SCHEMBL9800157 0.74 MTNR1A (0.32)
SCHEMBL9800169 0.74 RIPK1 (0.35) RIPK1
SCHEMBL483156 0.74 ADORA2A (0.32)

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