SCHEMBL1934186

SCHEMBL1934186

O=C(OCc1ccccc1)N1CC(c2csc(-c3ccc(F)cc3)n2)C2NCCC21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.46
TRPC3 Q13507 1/20 0.40
TRPC7 Q9HCX4 1/20 0.40
LMNA P02545 1/20 0.39
ENPP2 Q13822 6/20 0.38
HTR2C P28335 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CPT2 P23786 1/20 0.37
AGTR2 P50052 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL12556703 1.00 CPT1A (0.46) CPT1ATRPC3TRPC7LMNAENPP2
SCHEMBL12556487 0.87 JAK1 (0.41) TRPC3TRPC7ENPP2HTR2C
SCHEMBL12556500 0.86 ALDH1A1 (0.42) CPT1ALMNAENPP2HTR2CTLR7
SCHEMBL1934194 0.86 ALDH1A1 (0.42) CPT1ALMNAENPP2HTR2CTLR7
SCHEMBL12556304 0.81 ENPP2 (0.43) CPT1AENPP2HTR2CCPT2AGTR2
SCHEMBL12556301 0.78 CPT1A (0.41) CPT1ATRPC3TRPC7ENPP2
SCHEMBL9611499 0.76 KLK7 (0.42) HTR2CAGTR2
SCHEMBL12556713 0.75 CPT1A (0.40) CPT1AENPP2
SCHEMBL12556330 0.75 GBA1 (0.40) TRPC3TRPC7
SCHEMBL9611472 0.75 HTR2C (0.41) LMNAHTR2CAGTR2

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
WO-2011068926-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2011-06-09 WO disclosed