Sugi Predict

Sugi Predict / Compounds / SCHEMBL3475550

SCHEMBL3475550

SCHEMBL3475550

CC(C)(O)c1cccc(-c2ccc3c(nnn3CC3CC3)c2Br)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 14/20 0.50
▸ BRD4 O60885 2/20 0.39
▸ CREBBP Q92793 2/20 0.39
▸ TDO2 P48775 3/20 0.39
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 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
SCHEMBL3474988 0.85 GRM2 (0.35) GRM2
SCHEMBL7819934 0.78 GRM2 (0.53) GRM2TDO2
SCHEMBL3476922 0.75 GRM2 (0.44) GRM2
SCHEMBL3475333 0.75 GRM2 (0.42) GRM2TDO2
SCHEMBL3477455 0.74 GRM2 (0.48) GRM2TDO2
SCHEMBL3474800 0.74 GRM2 (0.48) GRM2TDO2
SCHEMBL3475400 0.74 GRM2 (0.43) GRM2TDO2
SCHEMBL3476225 0.73 GRM2 (0.47) GRM2TDO2
Trifluoroacetic Acid SCHEMBL3476353 0.73 GRM2 (0.45) GRM2
SCHEMBL3476286 0.73 GRM2 (0.45) GRM2TDO2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010141360-A1 BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-12-09 — — WO claimed
WO-2010141360-A1 BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-12-09 — — WO disclosed
WO-2010141360-A1 BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-12-09 — — WO disclosed