SCHEMBL11534979

SCHEMBL11534979

CN1C(=O)C[C@@]2(c3ccccc3)CCCC[C@H]2C1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.49
SLC6A4 P31645 4/20 0.49
SLC6A3 Q01959 4/20 0.49
ALDH1A1 P00352 1/20 0.39
BACE1 P56817 2/20 0.39
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
APP P05067 1/20 0.38
CTSD P07339 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
CYP2D6 P10635 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL11187799 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1BACE1
SCHEMBL11187797 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1BACE1
SCHEMBL11247408 0.96 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1BACE1
SCHEMBL11535339 0.86 LIG1 (0.38) SLC6A2SLC6A4SLC6A3BACE1
SCHEMBL11539184 0.86 LIG1 (0.38) SLC6A2SLC6A4SLC6A3BACE1
SCHEMBL11535340 0.86 LIG1 (0.38) SLC6A2SLC6A4SLC6A3BACE1
SCHEMBL11183841 0.84 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3BACE1KMT2A
SCHEMBL11183844 0.84 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3BACE1KMT2A
SCHEMBL11539811 0.84 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3BACE1KMT2A
SCHEMBL11532954 0.80 ALDH1A1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1BACE1

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-4150135-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-17 US disclosed