SCHEMBL11544758

SCHEMBL11544758

CC(N)C1=CC2(CCCC2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.42
SLC6A4 P31645 6/20 0.42
SLC6A2 P23975 3/20 0.42

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
SCHEMBL11543907 0.81 SLC6A4 (0.38) SLC6A3SLC6A4SLC6A2
SCHEMBL11544440 0.81 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2
SCHEMBL11503128 0.80 SLC6A2 (0.31) SLC6A3SLC6A4SLC6A2
SCHEMBL11294673 0.78 SLC6A4 (0.34) SLC6A3SLC6A4SLC6A2
SCHEMBL11544999 0.78 AKR1C1 (0.37)
SCHEMBL11545389 0.77 SLC6A4 (0.36) SLC6A3SLC6A4SLC6A2
SCHEMBL11544250 0.77 TAAR1 (0.39) SLC6A3SLC6A4SLC6A2
SCHEMBL11553286 0.77 HDAC4 (0.31)
SCHEMBL11295572 0.76 LMNA (0.37)
SCHEMBL11290081 0.76 IDO1 (0.32) SLC6A3SLC6A4SLC6A2

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