Sugi Predict

Sugi Predict / Compounds / SCHEMBL6027718

SCHEMBL6027718

SCHEMBL6027718

COc1ccc(C2CNCCC23CCNC3=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 8/20 0.50
▸ MAOA P21397 1/20 0.43
▸ MAP2K1 Q02750 1/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ GAA P10253 1/20 0.37

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
SCHEMBL5562193 0.90 SLC6A9 (0.56) SLC6A9MAOA
SCHEMBL5556904 0.74 SLC6A9 (0.55) SLC6A9
SCHEMBL1138347 0.71 SLC6A9 (0.58) SLC6A9
SCHEMBL5556903 0.71 SLC6A9 (0.58) SLC6A9
SCHEMBL5561878 0.71 SLC6A9 (0.58) SLC6A9
SCHEMBL4339185 0.71 SLC6A9 (0.42) SLC6A9
SCHEMBL1138335 0.71 SLC6A9 (0.56) SLC6A9
Hydrochloric Acid SCHEMBL5562493 0.70 SLC6A9 (0.57) SLC6A9
SCHEMBL5563352 0.69 SLC6A9 (0.54) SLC6A9
SCHEMBL2875597 0.69 HTR1A (0.47) SLC6A9

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-1716147-A1 DIAZA-SPIROPIPERIDINE DERIVATIVES AS INHIBITORS OF GLYCINE TRANSPORTER 1 AND GLYCINE TRANSPORTER 2 F.HOFFMANN-LA ROCHE AG (CH) 2006-11-02 — — EP disclosed
WO-2005068462-A1 DIAZA-SPIROPIPERIDINE DERIVATIVES AS INHIBITORS OF TRANSPORTER 1 AND GLYCINE TRANSPORTER 2 F. HOFFMANN-LA ROCHE AG (CH) 2005-07-28 — — WO disclosed