SCHEMBL586670

SCHEMBL586670

Cc1nc(Cl)ccc1OCCCC[C@H]1CCNC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 2/20 0.40
▸ AVPR1A P37288 2/20 0.40
▸ NPY1R P25929 11/20 0.39
▸ SLC6A2 P23975 4/20 0.37
▸ SLC6A4 P31645 4/20 0.37
▸ SSTR4 P31391 1/20 0.37
▸ S1PR4 O95977 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
SCHEMBL585768 0.85 SLC6A2 (0.52) AVPR2AVPR1ANPY1RSLC6A2SLC6A4
SCHEMBL2676100 0.78 SLC6A2 (0.33) SLC6A2SLC6A4SSTR4
SCHEMBL7410443 0.71 CHRNB2 (0.56) —
Hydrochloric Acid SCHEMBL7415122 0.70 CHRNB2 (0.55) —
SCHEMBL997318 0.70 ITGB3 (0.42) NPY1RSLC6A2SLC6A4
SCHEMBL586304 0.69 SLC6A2 (0.55) SLC6A2SLC6A4
SCHEMBL935709 0.68 NPY1R (0.50) NPY1RSLC6A2SLC6A4
SCHEMBL935234 0.68 NPY1R (0.50) NPY1RSLC6A2SLC6A4
SCHEMBL2675321 0.68 SLC6A2 (0.48) SLC6A2SLC6A4
SCHEMBL30670081 0.68 AVPR2 (0.42) AVPR2AVPR1ANPY1RSLC6A2SLC6A4

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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