SCHEMBL2445362

SCHEMBL2445362

CC1CC2CNC(CNC(=O)c3nsc4ccccc34)[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
TP53 P04637 11/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39

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
SCHEMBL496230 1.00 MAPT (0.43) MAPTTP53LMNASMN1; SMN2RXFP1
SCHEMBL496264 0.84 MAPT (0.42) MAPTTP53LMNASMN1; SMN2RXFP1
SCHEMBL3671608 0.82 KDM4E (0.34)
SCHEMBL496213 0.80 CYP3A4 (0.47)
SCHEMBL496329 0.80 HIF1A (0.43)
SCHEMBL3668373 0.78 ROCK1 (0.35) MAPTLMNA
SCHEMBL496277 0.74 TP53 (0.39) MAPTTP53SMN1; SMN2
SCHEMBL24898755 0.70 MAPT (0.60) MAPTTP53LMNASMN1; SMN2RXFP1
SCHEMBL8209794 0.69 MAPT (0.50) MAPTSMN1; SMN2
SCHEMBL496292 0.69 HCRTR1 (0.52)

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
EP-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 EP disclosed