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Sugi Predict / Compounds / SCHEMBL2909266

SCHEMBL2909266

SCHEMBL2909266

CN(C[C@H](O)CN1[C@@H]2C[CH]C[C@]1(C(N)=O)CC2)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PER2 O15055 16/20 0.39
▸ CRY1 Q16526 16/20 0.39
▸ CRY2 Q49AN0 16/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTR4 Q13639 4/20 0.34
▸ HTR3A P46098 1/20 0.32

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
SCHEMBL3035583 1.00 PER2 (0.39) PER2CRY1CRY2ALDH1A1HTR4
SCHEMBL4669731 1.00 PER2 (0.39) PER2CRY1CRY2ALDH1A1HTR4
SCHEMBL2918659 1.00 PER2 (0.39) PER2CRY1CRY2ALDH1A1HTR4
SCHEMBL2911931 1.00 PER2 (0.39) PER2CRY1CRY2ALDH1A1HTR4
SCHEMBL3040095 1.00 PER2 (0.39) PER2CRY1CRY2ALDH1A1HTR4
Hydrochloric Acid SCHEMBL2912478 0.99 PER2 (0.38) PER2CRY1CRY2ALDH1A1HTR4
SCHEMBL3043624 0.88 PER2 (0.42) PER2CRY1CRY2
SCHEMBL3792794 0.88 PER2 (0.42) PER2CRY1CRY2
SCHEMBL3045274 0.87 — —
SCHEMBL1073407 0.86 HTR4 (0.34) HTR4

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-2231589-B1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2013-02-13 — — EP disclosed
EP-1874766-B1 CRYSTALLINE FORM OF A QUINOLINONE-CARBOXAMIDE COMPOUND THERAVANCE INC (US) 2010-09-01 — — EP disclosed