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SCHEMBL3368112

SCHEMBL3368112

COc1cccc(-c2nnc(C3CCCN3C(=O)c3ccc(OC(F)(F)F)cc3)o2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 14/20 0.61
▸ HCRTR2 O43614 14/20 0.61
▸ SCD5 Q86SK9 2/20 0.51
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ GRM5 P41594 2/20 0.46

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
SCHEMBL3366784 0.90 HCRTR1 (0.65) HCRTR1HCRTR2SCD5GRM5
SCHEMBL3367538 0.89 HCRTR1 (0.53) HCRTR1HCRTR2SCD5GRM5
SCHEMBL3367057 0.88 HCRTR1 (0.65) HCRTR1HCRTR2SCD5GRM5
SCHEMBL3364202 0.85 HCRTR1 (0.54) HCRTR1HCRTR2GRM5
SCHEMBL3368078 0.85 HCRTR1 (0.61) HCRTR1HCRTR2SCD5GRM5
SCHEMBL3364799 0.85 HCRTR1 (0.64) HCRTR1HCRTR2SCD5GRM5
SCHEMBL3367335 0.84 HCRTR1 (0.61) HCRTR1HCRTR2SCD5
SCHEMBL3368411 0.83 HCRTR1 (0.61) HCRTR1HCRTR2SCD5GRM5
SCHEMBL3368150 0.83 HCRTR1 (0.67) HCRTR1HCRTR2SCD5GRM5
SCHEMBL3367343 0.82 HCRTR1 (0.62) HCRTR1HCRTR2SCD5GRM5

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
EP-1532141-B1 2-PYRROLIDIN-2-YL- [1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS GRUENENTHAL GMBH (DE) 2010-10-13 — — EP disclosed