SCHEMBL13270667

SCHEMBL13270667

C=C(CC)[C@@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 2/20 0.53
▸ ABL1 P00519 1/20 0.52
▸ RIN1 Q13671 1/20 0.52
▸ S1PR5 Q9H228 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ACHE P22303 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ S1PR4 O95977 1/20 0.49
▸ S1PR1 P21453 1/20 0.49
▸ S1PR3 Q99500 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ BCHE P06276 1/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ OPRM1 P35372 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL12716627 0.86 S1PR5 (0.58) SCN4AABL1RIN1S1PR5KDM4E
SCHEMBL26332190 0.85 MEN1 (0.58) SCN4AABL1RIN1S1PR5KDM4E
SCHEMBL20250776 0.82 ABL1 (0.63) SCN4AABL1RIN1S1PR5KDM4E
SCHEMBL19578326 0.82 ABL1 (0.63) SCN4AABL1RIN1S1PR5KDM4E
SCHEMBL8601138 0.79 S1PR5 (0.61) SCN4AABL1RIN1S1PR5KDM4E
SCHEMBL5567542 0.79 SCN4A (0.62) SCN4AABL1RIN1S1PR5KDM4E
SCHEMBL12174911 0.79 SCN4A (0.62) SCN4AABL1RIN1S1PR5KDM4E
SCHEMBL12174984 0.79 SCN4A (0.62) SCN4AABL1RIN1S1PR5KDM4E
SCHEMBL16301219 0.78 S1PR5 (0.77) SCN4AS1PR5KDM4EALDH1A1S1PR4
SCHEMBL250506 0.78 S1PR5 (0.77) SCN4AS1PR5KDM4EALDH1A1S1PR4

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-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 — — EP disclosed
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