SCHEMBL585768

SCHEMBL585768

COc1ccc(OCCCC[C@H]2CCNC2)c(C)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.52
▸ SLC6A4 P31645 5/20 0.52
▸ SLC6A3 Q01959 1/20 0.45
▸ AVPR2 P30518 2/20 0.40
▸ AVPR1A P37288 2/20 0.40
▸ ACP1 P24666 4/20 0.38
▸ QPCT Q16769 2/20 0.38
▸ NPY1R P25929 2/20 0.35
▸ ITGB3 P05106 2/20 0.35
▸ ITGA2B P08514 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CTSS P25774 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
SCHEMBL586670 0.85 AVPR2 (0.40) SLC6A2SLC6A4AVPR2AVPR1ANPY1R
SCHEMBL2675874 0.79 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ACP1CTSS
SCHEMBL6644033 0.72 GAA (0.47) SLC6A4ACP1QPCT
SCHEMBL585198 0.71 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6586566 0.70 TSHR (0.51) —
SCHEMBL29038446 0.69 FDPS (0.52) —
SCHEMBL633762 0.68 KCNH2 (0.43) —
SCHEMBL586415 0.68 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL585767 0.68 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL586043 0.68 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3

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
EP-2417124-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR Eli Lilly and Company (US) 2012-02-15 — — EP disclosed
WO-2010117979-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR ELI LILLY AND COMPANY (US) 2010-10-14 — — WO disclosed
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