SCHEMBL11544246

SCHEMBL11544246

CNC(C)(C)C1=CC2(CCCC2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
SLC6A3 Q01959 2/20 0.31
OPRK1 P41145 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.31
GRIN2B Q13224 1/20 0.31
CACNA1C Q13936 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SLC6A2 P23975 1/20 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
SCHEMBL11549304 0.78 SLC6A3 (0.31) SLC6A4SLC6A3SLC6A2
SCHEMBL11462365 0.76
SCHEMBL11289919 0.72 HDAC4 (0.32)
SCHEMBL11543907 0.69 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2
SCHEMBL11295881 0.69 PGR (0.33)
SCHEMBL11543909 0.68 TAAR1 (0.37) SLC6A4SLC6A3OPRK1LMNAOPRM1
SCHEMBL11290237 0.67 PGR (0.35)
SCHEMBL11544250 0.66 TAAR1 (0.39) SLC6A4SLC6A3SLC6A2
SCHEMBL11553286 0.66 HDAC4 (0.31)
SCHEMBL11544913 0.66 MEN1 (0.39) SLC6A4SLC6A3LMNAOPRM1SLC6A2

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-4172093-A Pharmacodynamically active indan derivatives AB KABI (SE) 1979-10-23 US disclosed