SCHEMBL9733300

SCHEMBL9733300

CC(=O)Oc1cccn(C2=CC(C)(C)Cc3ccc(C#N)cc32)c1=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.32
PGR P06401 1/20 0.31
LCK P06239 1/20 0.30
RET P07949 1/20 0.30
KDR P35968 1/20 0.30
LRRK2 Q5S007 1/20 0.30
ALK Q9UM73 1/20 0.30
SCN9A Q15858 1/20 0.30
MALT1 Q9UDY8 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
SCHEMBL9732964 0.88 DRD2 (0.35) PGRALK
SCHEMBL9733975 0.85 KCNH2 (0.37) PGRALKMALT1
SCHEMBL9733259 0.84 PGR (0.34) PGRMALT1
SCHEMBL9733001 0.83 OTUD7B (0.35) PGRLCKRETKDRLRRK2
SCHEMBL9733746 0.82 PGR (0.34) PGRMALT1
SCHEMBL9734356 0.82 POLB (0.34) PGRALK
SCHEMBL7274143 0.82 PDE4A (0.42) MAOBMALT1
SCHEMBL9733088 0.78 MAPT (0.36) PGRALK
SCHEMBL9733284 0.78 HTR1A (0.37) PGR
SCHEMBL9733106 0.76 PGR (0.34) PGRALK

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
US-5132307-A TETRALIN COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-21 US disclosed
EP-0368160-A1 Tetralin derivatives MERCK PATENT GmbH (DE) 1990-05-16 EP disclosed