SCHEMBL11539811

SCHEMBL11539811

COc1cccc([C@]23CCCC[C@H]2C(=O)N(C)C(=O)C3)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.56
SLC6A2 P23975 6/20 0.56
SLC6A3 Q01959 1/20 0.56
SIGMAR1 Q99720 2/20 0.45
BACE1 P56817 4/20 0.43
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
SLC22A1 O15245 3/20 0.42
OPRM1 P35372 3/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 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
SCHEMBL11183841 1.00 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3SIGMAR1BACE1
SCHEMBL11183844 1.00 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3SIGMAR1BACE1
SCHEMBL11252676 0.96 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3SIGMAR1BACE1
SCHEMBL11185274 0.84 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3SIGMAR1BACE1
SCHEMBL11185272 0.84 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3SIGMAR1BACE1
SCHEMBL11534979 0.84 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3BACE1CTSD
SCHEMBL11187799 0.84 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3BACE1CTSD
SCHEMBL11187797 0.84 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3BACE1CTSD
SCHEMBL11539220 0.84 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3BACE1CTSD
SCHEMBL11192497 0.84 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3BACE1CTSD

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